SCHEMBL5867828

SCHEMBL5867828

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 9/20 0.49
CDK2 P24941 9/20 0.49
CCNA1 P78396 9/20 0.49
ADCY1 Q08828 1/20 0.46
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1F P30939 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
F2 P00734 1/20 0.42
MAPT P10636 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
BACE1 P56817 1/20 0.42
ESR1 P03372 1/20 0.41

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
SCHEMBL5867494 0.93 CCNA2 (0.46) CCNA2CDK2CCNA1ADCY1HTR1A
SCHEMBL5868012 0.88 CCNA2 (0.44) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867600 0.88 CCNA2 (0.60) CCNA2CDK2CCNA1KMT2AMEN1
SCHEMBL5867407 0.88 CCNA2 (0.64) CCNA2CDK2CCNA1ADCY1NPC1
SCHEMBL5868240 0.87 CCNA2 (0.47) CCNA2CDK2CCNA1KCNQ3KCNQ2
SCHEMBL5867547 0.87 MCHR1 (0.50) CCNA2CDK2CCNA1KMT2AMEN1
SCHEMBL5868122 0.86 CCNA2 (0.61) CCNA2CDK2CCNA1
SCHEMBL5867549 0.86 CCNA2 (0.61) CCNA2CDK2CCNA1ADCY1F2
SCHEMBL5867742 0.86 CCNA2 (0.49) CCNA2CDK2CCNA1
SCHEMBL5867451 0.86 CCNA2 (0.49) CCNA2CDK2CCNA1ADCY1NPC1

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 7 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 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
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