SCHEMBL5232245

SCHEMBL5232245

NC1CCC(Nc2ncc3c(n2)NC(=O)N(c2ccccc2Cl)C3)CC1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.82
CDK7 P50613 12/20 0.46
CDK9 P50750 11/20 0.46
MAPK8 P45983 2/20 0.41
MAPK10 P53779 1/20 0.41
FGFR4 P22455 1/20 0.40
MAPK7 Q13164 1/20 0.39
BTK Q06187 1/20 0.39
CCNT1 O60563 3/20 0.38
FLT3 P36888 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
CCNH P51946 1/20 0.38

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
SCHEMBL5232252 1.00 MAPK14 (0.82) MAPK14CDK7CDK9MAPK8MAPK10
SCHEMBL5232688 0.90 MAPK14 (1.00) MAPK14MAPK8MAPK10FGFR4MAPK7
SCHEMBL5229413 0.90 MAPK14 (1.00) MAPK14MAPK8MAPK10FGFR4MAPK7
SCHEMBL5229406 0.90 MAPK14 (1.00) MAPK14MAPK8MAPK10FGFR4MAPK7
SCHEMBL5232763 0.89 MAPK14 (0.80) MAPK14CDK7CDK9MAPK8FGFR4
SCHEMBL5232230 0.89 MAPK14 (0.80) MAPK14MAPK8FGFR4MAPK7
SCHEMBL5230085 0.88 MAPK14 (0.79) MAPK14MAPK8
SCHEMBL5228614 0.87 MAPK14 (0.78) MAPK14CDK7CDK9MAPK8MAPK10
SCHEMBL5230080 0.87 MAPK14 (0.78) MAPK14CDK7CDK9MAPK8MAPK10
SCHEMBL5239181 0.87 MAPK14 (0.81) MAPK14CDK7CDK9MAPK8FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-6451804-B1 Heteroalkylamino-substituted bicyclic nitrogen heterocycles SYNTEX (U.S.A.) LLC 2002-09-17 US disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 EP disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed