SCHEMBL2464784

SCHEMBL2464784

CNc1ccnc(N(c2cc(OC)cc(S(C)(=O)=O)c2)c2n[nH]c3c(F)cccc23)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.33
NFE2L2 Q16236 1/20 0.31
PLK4 O00444 1/20 0.31
ROCK1 Q13464 1/20 0.31
SCN9A Q15858 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
LRRK2 Q5S007 1/20 0.30
MAP3K20 Q9NYL2 1/20 0.30

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
SCHEMBL2467186 0.84 ALDH1A1 (0.33) SCN9AALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL14634068 0.73 EPHB4 (0.47) CYP3A4LRRK2
SCHEMBL14634091 0.71 EPHB4 (0.46) LRRK2
SCHEMBL2439775 0.67 KDR (0.48) CYP3A4
SCHEMBL2469062 0.67 RIPK2 (0.39) SCN9ALRRK2
SCHEMBL14633989 0.66 SYK (0.42) CYP3A4LRRK2
SCHEMBL2541545 0.66 MTOR (0.30)
SCHEMBL2469140 0.65
SCHEMBL2435813 0.65 EGFR (0.45)
SCHEMBL2466508 0.63 CDK9 (0.40) PLK4CYP1A2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed