SCHEMBL5868034

SCHEMBL5868034

O=C(CCc1ccccc1)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
TSHR P16473 3/20 0.48
CYP1A2 P05177 1/20 0.48
ALPL P05186 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 2/20 0.48
HTT P42858 1/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 2/20 0.46
HDAC1 Q13547 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5867926 0.87 CDK2 (0.62) CCNA2CDK2CCNA1
SCHEMBL5867676 0.84 SMN1; SMN2 (0.44) CCNA2CDK2CCNA1HDAC8HDAC1
SCHEMBL5867593 0.81 CDK2 (0.65) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL5867670 0.80 CCNA2 (0.59) ADORA3ADORA2AMAPTCCNA2CDK2
SCHEMBL5597550 0.80 MAPK1 (0.55) HTTCCNA2CDK2CCNA1LMNA
SCHEMBL5867573 0.80 ERCC1 (0.45) ADORA3MAPTGAACCNA2CDK2
SCHEMBL5597680 0.79 NPC1 (0.51) TSHRMAPTHDAC2HDAC1MEN1
SCHEMBL5867947 0.78 EPHX2 (0.52) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL5867891 0.78 MAOB (0.52) ADORA3ADORA2ACCNA2CDK2CCNA1
SCHEMBL5867890 0.78 MAOB (0.52) ADORA3ADORA2ACCNA2CDK2CCNA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034049-B1 3(5)-amino-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2006-04-25 US claimed
EP-1202733-B1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-10-05 EP claimed
EP-1202733-A4 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-14 EP claimed
JP-2003507329-A 2003-02-25 JP claimed
EP-1202733-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP claimed
US-6218418-B1 THERAPY OF CELL PROLIFERATIVE DISORDERS ASSOCIATED WITH AN ALTERED CELL DEPENDENT KINASE ACTIVITY BY ADMINISTERING AMINO PYRAZOLE DERIVATIVE TO MAMMAL PHARMACIA & UPJOHN S.P.A (IT) 2001-04-17 US claimed
WO-2001012189-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-02-22 WO claimed
US-7034049-B1 3(5)-amino-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2006-04-25 US disclosed
EP-1202733-B1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-10-05 EP disclosed
CN-1454091-A Immunostimulatory nucleic acids UNIV IOWA RES FOUND (US) 2003-11-05 CN disclosed
EP-1202733-A4 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-14 EP disclosed
CN-1373662-A 3(5)-amino-pyrazole derivs., process for their preparation and their use as antitumor agents PHARMACIA & UP JOHN S P A (IT) 2002-10-09 CN disclosed
EP-1202733-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP disclosed
US-6218418-B1 THERAPY OF CELL PROLIFERATIVE DISORDERS ASSOCIATED WITH AN ALTERED CELL DEPENDENT KINASE ACTIVITY BY ADMINISTERING AMINO PYRAZOLE DERIVATIVE TO MAMMAL PHARMACIA & UPJOHN S.P.A (IT) 2001-04-17 US disclosed
WO-2001012189-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-02-22 WO disclosed