SCHEMBL14276261

SCHEMBL14276261

CCOC(=O)c1cc2cccc(Oc3ccnc(C(=O)NC)c3)c2n1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.45
RAF1 P04049 15/20 0.45
KDR P35968 3/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
P2RX3 P56373 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
SCHEMBL14276263 0.89 P2RX3 (0.39) P2RX3
SCHEMBL5111493 0.87 BRAF (0.51) BRAFRAF1KDRLCKFYN
SCHEMBL14276260 0.86 BRAF (0.35) BRAFRAF1KDRLCKFYN
SCHEMBL4049497 0.84 PPARG (0.41)
SCHEMBL14276284 0.81 SMN1; SMN2 (0.34)
SCHEMBL14276272 0.79 MEN1 (0.38)
SCHEMBL14276270 0.79 KDR (0.39) BRAFKDR
SCHEMBL14276271 0.77 MAPK14 (0.39)
SCHEMBL14276265 0.77 PIK3CA (0.40)
SCHEMBL12020936 0.75 KDR (0.55) BRAFRAF1KDRLCKFYN

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
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed