SCHEMBL5867572

SCHEMBL5867572

O=C(Nc1cc(C2CC2)n[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.65
CDK2 P24941 1/20 0.65
CCNA1 P78396 1/20 0.65
ADCY8 P40145 1/20 0.53
ADCY1 Q08828 1/20 0.53
P2RX1 P51575 1/20 0.51
LMNA P02545 1/20 0.51
KCNQ3 O43525 2/20 0.51
KCNQ2 O43526 2/20 0.51
KCNE1 P15382 2/20 0.51
KCNQ1 P51787 2/20 0.51
KCNQ5 Q9NR82 1/20 0.51
PTGS1 P23219 3/20 0.50
KCNK3 O14649 1/20 0.49
MAPT P10636 1/20 0.49
TLR7 Q9NYK1 1/20 0.48
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL5867803 0.88 CCNA2 (0.52) CCNA2CDK2CCNA1ADCY8ADCY1
SCHEMBL5867547 0.88 MCHR1 (0.50) CCNA2CDK2CCNA1LMNAKCNQ3
SCHEMBL5867663 0.84 ADCY1 (0.51) CCNA2CDK2CCNA1ADCY1KCNQ3
SCHEMBL5867485 0.83 CCNA2 (0.65) CCNA2CDK2CCNA1KCNQ3KCNQ2
SCHEMBL5867670 0.82 CCNA2 (0.59) CCNA2CDK2CCNA1ADCY1MAPT
SCHEMBL5867870 0.82 KCNK3 (0.49) CCNA2CDK2CCNA1KCNK3
SCHEMBL5867583 0.82 CCNA2 (0.63) CCNA2CDK2CCNA1MAPTGAA
SCHEMBL6389766 0.80 MEN1 (0.50) CCNA2CDK2CCNA1ADCY8ADCY1
SCHEMBL6389765 0.80 MEN1 (0.50) CCNA2CDK2CCNA1ADCY8ADCY1
SCHEMBL2158028 0.80 AURKA (0.61) CCNA2CDK2CCNA1KCNQ3KCNQ2

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 13 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
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
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