SCHEMBL5230080

SCHEMBL5230080

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.78
MAPK8 P45983 10/20 0.45
MAPK9 P45984 8/20 0.45
CDK2 P24941 4/20 0.42
CCNE1 P24864 3/20 0.42
MAPK10 P53779 3/20 0.42
CDK1 P06493 2/20 0.42
CDK4 P11802 2/20 0.42
CCNB1 P14635 2/20 0.42
CCND1 P24385 2/20 0.42
CDK7 P50613 2/20 0.42
CDK9 P50750 2/20 0.42
CCND3 P30281 1/20 0.41
CDK6 Q00534 1/20 0.41
FGFR4 P22455 1/20 0.40
CDC7 O00311 1/20 0.40
DAPK3 O43293 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40

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
SCHEMBL5228614 1.00 MAPK14 (0.78) MAPK14MAPK8MAPK9CDK2CCNE1
SCHEMBL5263415 0.91 MAPK14 (0.73) MAPK14MAPK8MAPK9CDK2CCNE1
SCHEMBL5263417 0.91 MAPK14 (0.73) MAPK14MAPK8MAPK9CDK2CCNE1
SCHEMBL5229413 0.87 MAPK14 (1.00) MAPK14MAPK8MAPK9MAPK10FGFR4
SCHEMBL5232688 0.87 MAPK14 (1.00) MAPK14MAPK8MAPK9MAPK10FGFR4
SCHEMBL5229406 0.87 MAPK14 (1.00) MAPK14MAPK8MAPK9MAPK10FGFR4
SCHEMBL5232245 0.87 MAPK14 (0.82) MAPK14MAPK8MAPK10CDK7CDK9
SCHEMBL5232252 0.87 MAPK14 (0.82) MAPK14MAPK8MAPK10CDK7CDK9
SCHEMBL5232763 0.86 MAPK14 (0.80) MAPK14MAPK8MAPK9CDK2CCNE1
SCHEMBL5232230 0.86 MAPK14 (0.80) MAPK14MAPK8CDK2CDK1CDK4

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