SCHEMBL15911533

SCHEMBL15911533

COC(=O)Oc1ccc2c(c1)c(-c1c(F)cccc1F)nc1c(NC3CCN(S(C)(=O)=O)CC3)n[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.42
CDK1 P06493 11/20 0.41
CDK2 P24941 11/20 0.41
CDK4 P11802 10/20 0.41
CCND1 P24385 10/20 0.41
CNR1 P21554 2/20 0.39
TDO2 P48775 1/20 0.37
CDK6 Q00534 2/20 0.36
CDK5 Q00535 2/20 0.36
CASK O14936 1/20 0.36
ROCK2 O75116 1/20 0.36
CDKL5 O76039 1/20 0.36
STK10 O94804 1/20 0.36
CDK14 O94921 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
MAK P20794 1/20 0.36
CDK11B P21127 1/20 0.36
TTK P33981 1/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL2680449 0.88 MAPK14 (0.43) MAPK14CDK1CDK2CDK4CCND1
SCHEMBL703045 0.86 MAPK14 (0.51) MAPK14CDK1CDK2CDK4CCND1
SCHEMBL708407 0.86 MAPK14 (0.43) MAPK14CDK1CDK2CDK4CCND1
SCHEMBL704772 0.85 CDK2 (0.44) MAPK14CDK1CDK2CDK4CCND1
SCHEMBL31448368 0.85 CDK2 (0.44) MAPK14CDK1CDK2CDK4CCND1
SCHEMBL702868 0.84 MAPK14 (0.46) MAPK14CDK1CDK2CDK4CCND1
SCHEMBL698984 0.84 MAPK14 (0.43) MAPK14CDK1CDK2CDK4CCND1
SCHEMBL708901 0.83 MAPK14 (0.43) MAPK14CDK1CDK2CDK4CCND1
SCHEMBL702396 0.83 MAPK14 (0.43) MAPK14CDK1CDK2CDK4CCND1
SCHEMBL704347 0.83 MAPK14 (0.43) MAPK14CDK1CDK2CDK4CCND1

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-2421864-B1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-08-06 EP claimed