SCHEMBL1385372

SCHEMBL1385372

OCCCNc1nccc(-c2cc3c[nH]nc3nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.46
MAPK11 Q15759 9/20 0.41
MAPK13 O15264 8/20 0.41
MAPK12 P53778 8/20 0.41
MAPK9 P45984 1/20 0.41
FYN P06241 1/20 0.40
BRAF P15056 3/20 0.39
RAF1 P04049 2/20 0.39
CSNK2A1 P68400 1/20 0.39
ADORA1 P30542 1/20 0.38
ABL1 P00519 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK8 P45983 1/20 0.38
NTRK2 Q16620 1/20 0.38
HIPK1 Q86Z02 1/20 0.38
MAP3K20 Q9NYL2 1/20 0.38
MET P08581 1/20 0.38
EIF2AK2 P19525 1/20 0.38
CSNK1A1 P48729 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
SCHEMBL2932912 0.86 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL1386682 0.80 CCNT1 (0.55) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL2927897 0.77 KDM4E (0.44) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL29652657 0.75 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL2929738 0.73 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL2929314 0.73 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL29893846 0.70 MAPK14 (0.43) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL2930500 0.70 MAPK13 (0.47) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL29652640 0.70 MAPK13 (0.47) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL3257741 0.69 PIK3CG (0.56) ABL1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4814783-B2 2011-11-16 JP claimed
EP-1611131-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach y Compagnia S.A. (ES) 2006-01-04 EP claimed
WO-2004076450-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach Y Compañia S.A. (ES) 2004-09-10 WO claimed