SCHEMBL6006706

SCHEMBL6006706

Bc1ccn2c(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)nnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.44
CSNK1D P48730 5/20 0.41
CSNK1E P49674 5/20 0.41
MET P08581 1/20 0.38
BRAF P15056 1/20 0.38
PDGFRB P09619 2/20 0.37
FLT1 P17948 2/20 0.37
AURKA O14965 1/20 0.37
KIT P10721 1/20 0.37
ABL1 P00519 1/20 0.37
CSF1R P07333 1/20 0.37
YES1 P07947 1/20 0.37
RET P07949 1/20 0.37
BCR P11274 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT4 P35916 1/20 0.37
ABL2 P42684 1/20 0.37
DDR1 Q08345 1/20 0.37
DDR2 Q16832 1/20 0.37
AAK1 Q2M2I8 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
SCHEMBL5954398 0.89 KDR (0.46) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL5954391 0.89 KDR (0.44) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL252682 0.89 KDR (0.46) KDRCSNK1DCSNK1EMETPDGFRB
SCHEMBL5954421 0.89 KDR (0.44) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL3397327 0.89 KDR (0.44) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL5955071 0.87 KDR (0.44) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL5955371 0.86 KDR (0.46) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL251711 0.86 CSNK1D (0.53) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL5954869 0.83 KDR (0.48) KDRCSNK1DCSNK1EMETBRAF
SCHEMBL252254 0.82 KDR (0.43) KDRCSNK1DCSNK1EMETBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed