SCHEMBL4245668

SCHEMBL4245668

Brc1cccc(Nc2cccc3[nH]ccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.57
EGFR P00533 7/20 0.52
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
INCENP Q9NQS7 1/20 0.52
STING1 Q86WV6 1/20 0.49
AHR P35869 1/20 0.47
DHPS P49366 1/20 0.45
MAPK1 P28482 1/20 0.45
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
GAK O14976 1/20 0.42
CCR4 P51679 1/20 0.42
RET P07949 1/20 0.41
GOT1 P17174 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41

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
SCHEMBL27463226 0.82 MEN1 (0.59) MAPK14EGFRAHRDHPSMAPK1
SCHEMBL2986147 0.81 MAPK14 (0.57) MAPK14EGFRAURKAMAPK1PDGFRB
SCHEMBL2976781 0.78 DHPS (0.48) EGFRDHPSMAPK1PDGFRBKDR
SCHEMBL858905 0.78 MAPK14 (0.60) MAPK14AURKAMAPK1GAKRET
SCHEMBL21257478 0.78 RAPGEF4 (0.46) MAPK14EGFRDHPSMAPK1PDGFRB
SCHEMBL14137199 0.75 EGFR (0.57) EGFRGAKRAPGEF4
SCHEMBL31744708 0.75 STING1 (0.52) MAPK14EGFRAURKAAURKBINCENP
SCHEMBL15455646 0.74 MAPK1 (0.47) MAPK14EGFRAHRDHPSMAPK1
SCHEMBL9132873 0.74 MAPK1 (0.51) MAPK14EGFRAHRDHPSMAPK1
SCHEMBL29831041 0.74 MAPK14 (1.00) MAPK14EGFRAURKAAURKBINCENP

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
EP-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP disclosed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed