SCHEMBL5232230

SCHEMBL5232230

O=C1Nc2nc(NC3CCNCC3)ncc2CN1c1ccccc1Cl

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.80
MAPK8 P45983 2/20 0.41
MAPK1 P28482 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
FGFR4 P22455 2/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK7 Q13164 1/20 0.40
IKBKB O14920 1/20 0.39
CYP1A2 P05177 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
WEE1 P30291 2/20 0.38
HDAC1 Q13547 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
CTSC P53634 1/20 0.37
LCK P06239 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PSEN1 P49768 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
SCHEMBL5232763 0.90 MAPK14 (0.80) MAPK14MAPK8MAPK1FGFR4CDK1
SCHEMBL5232245 0.89 MAPK14 (0.82) MAPK14MAPK8FGFR4MAPK7
SCHEMBL5229413 0.89 MAPK14 (1.00) MAPK14MAPK8MAPK1FGFR4MAPK7
SCHEMBL5232252 0.89 MAPK14 (0.82) MAPK14MAPK8FGFR4MAPK7
SCHEMBL5229406 0.89 MAPK14 (1.00) MAPK14MAPK8MAPK1FGFR4MAPK7
SCHEMBL5230085 0.89 MAPK14 (0.79) MAPK14MAPK8MAPK1LCK
SCHEMBL5232688 0.89 MAPK14 (1.00) MAPK14MAPK8MAPK1FGFR4MAPK7
SCHEMBL5239181 0.88 MAPK14 (0.81) MAPK14MAPK8MAPK1FGFR4MAPK7
SCHEMBL5228614 0.86 MAPK14 (0.78) MAPK14MAPK8FGFR4CDK1CDK4
SCHEMBL5230080 0.86 MAPK14 (0.78) MAPK14MAPK8FGFR4CDK1CDK4

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