SCHEMBL5823912

SCHEMBL5823912

CCC(C(=O)O)n1nc(-c2ccc(NC(=O)Nc3cccc(C)c3)c(F)c2)c2c(N)nccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 17/20 0.52
▸ FLT3 P36888 9/20 0.52
▸ KIT P10721 7/20 0.52
▸ AURKA O14965 4/20 0.48
▸ AURKB Q96GD4 4/20 0.48
▸ IKBKE Q14164 1/20 0.48
▸ LCK P06239 4/20 0.47
▸ RET P07949 4/20 0.47
▸ FGFR1 P11362 4/20 0.47
▸ BLK P51451 4/20 0.47
▸ MAP4K5 Q9Y4K4 4/20 0.47
▸ PRKD3 O94806 3/20 0.47
▸ RPS6KA3 P51812 3/20 0.47
▸ STK3 Q13188 3/20 0.47
▸ ALK Q9UM73 2/20 0.47
▸ SYK P43405 2/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ FER P16591 1/20 0.47

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
SCHEMBL5823907 0.89 AURKA (0.58) KDRFLT3KITAURKAAURKB
SCHEMBL15978893 0.81 RET (0.62) KDRFLT3KITAURKAAURKB
SCHEMBL5804211 0.80 AURKB (0.59) KDRFLT3KITAURKAAURKB
SCHEMBL5802933 0.79 AURKA (0.56) KDRFLT3KITAURKAAURKB
SCHEMBL6437239 0.76 KDR (0.66) KDRFLT3KITAURKAAURKB
SCHEMBL5801797 0.75 AURKA (0.57) KDRFLT3KITAURKAAURKB
SCHEMBL3526559 0.73 KDR (0.79) KDRFLT3KITAURKAAURKB
SCHEMBL14985444 0.73 RET (0.68) KDRRETABL1
SCHEMBL5803692 0.73 KDR (0.62) KDRFLT3KITAURKAAURKB
SCHEMBL6431567 0.72 LCK (0.57) KDRFLT3KITAURKAAURKB

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-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 — — EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 — — EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 — — WO disclosed
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