SCHEMBL4067356

SCHEMBL4067356

COC(=O)c1cc(Nc2cc(C3CC3)n[nH]2)nc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.43
IGF1R P08069 3/20 0.40
NQO2 P16083 5/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
ALPL P05186 2/20 0.32
SLC6A3 Q01959 1/20 0.32
PSD A5PKW4 1/20 0.32

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
SCHEMBL4070911 0.89 IGF1R (0.41) SYKIGF1RMAPTCYP1A2HPGD
SCHEMBL30702769 0.82 SYK (0.47) SYKNQO2MAPK1MAPTPOLB
SCHEMBL29155667 0.82 SYK (0.47) SYKNQO2MAPK1MAPTPOLB
SCHEMBL14723106 0.81 IGF1R (0.54) SYKIGF1RCCNA2CDK2CCNA1
SCHEMBL342752 0.79 IGF1R (0.44) IGF1RMAPTCYP1A2
SCHEMBL2205494 0.79 PIK3C3 (0.35) SYKIGF1R
SCHEMBL12615803 0.78 POLB (0.41) NQO2MAPK1MAPTPOLBCYP1A2
SCHEMBL4074688 0.75 NTRK1 (0.46) IGF1RMAPK1CDK2
SCHEMBL20943748 0.74 SYK (0.47) SYKMAPK1
SCHEMBL25136086 0.73 POLB (0.38) NQO2MAPK1POLBCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed