SCHEMBL5232763

SCHEMBL5232763

O=C1CCC(Nc2ncc3c(n2)NC(=O)N(c2ccccc2Cl)C3)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.80
FGFR4 P22455 2/20 0.40
MAPK7 Q13164 1/20 0.40
CDK7 P50613 3/20 0.38
CDK9 P50750 3/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CCNT1 O60563 1/20 0.38
CCNK O75909 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
BTK Q06187 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
LCK P06239 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37

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
SCHEMBL5232230 0.90 MAPK14 (0.80) MAPK14FGFR4MAPK7CDK2MKNK1
SCHEMBL5229413 0.89 MAPK14 (1.00) MAPK14FGFR4MAPK7BTKMAPK8
SCHEMBL5232688 0.89 MAPK14 (1.00) MAPK14FGFR4MAPK7BTKMAPK8
SCHEMBL5230085 0.89 MAPK14 (0.79) MAPK14LCKMAPK8MAPK1
SCHEMBL5232252 0.89 MAPK14 (0.82) MAPK14FGFR4MAPK7CDK7CDK9
SCHEMBL5229406 0.89 MAPK14 (1.00) MAPK14FGFR4MAPK7BTKMAPK8
SCHEMBL5232245 0.89 MAPK14 (0.82) MAPK14FGFR4MAPK7CDK7CDK9
SCHEMBL5228614 0.86 MAPK14 (0.78) MAPK14FGFR4MAPK7CDK7CDK9
SCHEMBL5230080 0.86 MAPK14 (0.78) MAPK14FGFR4MAPK7CDK7CDK9
SCHEMBL5239181 0.86 MAPK14 (0.81) MAPK14FGFR4MAPK7CDK7CDK9

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 5 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
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