SCHEMBL5867446

SCHEMBL5867446

O=C(Nc1cc(C2CC2)n[nH]1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.51
CDK2 P24941 6/20 0.51
CCNA1 P78396 6/20 0.51
HDAC6 Q9UBN7 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
STAT3 P40763 1/20 0.45
PTPN1 P18031 1/20 0.44
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL5867670 0.92 CCNA2 (0.59) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867954 0.90 CCNA2 (0.54) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867600 0.88 CCNA2 (0.60) CCNA2CDK2CCNA1HDAC6NPC1
SCHEMBL5867407 0.85 CCNA2 (0.64) CCNA2CDK2CCNA1HDAC6NPC1
SCHEMBL5868122 0.84 CCNA2 (0.61) CCNA2CDK2CCNA1HDAC6HDAC8
SCHEMBL5867451 0.84 CCNA2 (0.49) CCNA2CDK2CCNA1HDAC6NPC1
SCHEMBL5867828 0.84 CCNA2 (0.49) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867742 0.84 CCNA2 (0.49) CCNA2CDK2CCNA1HDAC6HDAC8
SCHEMBL5867549 0.84 CCNA2 (0.61) CCNA2CDK2CCNA1HDAC6HDAC8
SCHEMBL5867852 0.84 NPC1 (0.50) CCNA2CDK2CCNA1HDAC6NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
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