SCHEMBL15664221

SCHEMBL15664221

COCCOc1nnc(Nc2ccc(Sc3ccnc4cc(OC)cnc34)cc2)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.38
PDGFRA P16234 1/20 0.38
GRM4 Q14833 4/20 0.37
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.35
YES1 P07947 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MET P08581 3/20 0.34
CYP3A4 P08684 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
FLT1 P17948 1/20 0.34

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
SCHEMBL15663626 0.91 KDR (0.39) KDRPDGFRAHTTMAPTYES1
SCHEMBL2209181 0.91 KDR (0.41) KDRPDGFRAHTTMAPTYES1
SCHEMBL15663700 0.89 KDR (0.39) KDRPDGFRAGRM4HTTMAPT
SCHEMBL15663472 0.88 KDR (0.37) KDRPDGFRAHTTMAPTYES1
SCHEMBL15663325 0.88 MAPT (0.48) KDRHTTMAPTLMNAMEN1
SCHEMBL15663426 0.87 KDR (0.38) KDRPDGFRAHTTMAPTYES1
SCHEMBL2208817 0.87 KDR (0.39) KDRPDGFRAHTTMAPTYES1
SCHEMBL15663393 0.86 MAPT (0.41) KDRHTTMAPTLMNAMEN1
SCHEMBL2206890 0.85 KDR (0.41) KDRPDGFRAHTTMAPTYES1
SCHEMBL2208866 0.84 CYP1A2 (0.36) KDRPDGFRA

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
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed