SCHEMBL4261906

SCHEMBL4261906

Cc1ccccc1P(=O)(O)Oc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.47
▸ CHEK1 O14757 8/20 0.47
▸ FGFR1 P11362 5/20 0.47
▸ AURKA O14965 5/20 0.46
▸ AURKB Q96GD4 3/20 0.45
▸ LCK P06239 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ NTRK1 P04629 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ NTRK2 Q16620 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
SCHEMBL27661524 0.82 KDR (0.54) KDRCHEK1FGFR1AURKAAURKB
SCHEMBL27681104 0.81 KDR (0.52) KDRCHEK1FGFR1AURKAAURKB
SCHEMBL3922131 0.80 KDR (0.51) KDRCHEK1FGFR1AURKAAURKB
SCHEMBL3922144 0.80 KDR (0.51) KDRCHEK1FGFR1AURKAAURKB
SCHEMBL3920189 0.80 KDR (0.51) KDRCHEK1FGFR1AURKAAURKB
SCHEMBL3920188 0.80 KDR (0.51) KDRCHEK1FGFR1AURKAAURKB
SCHEMBL3922896 0.79 KDR (0.53) KDRCHEK1FGFR1AURKAAURKB
SCHEMBL3922887 0.79 KDR (0.53) KDRCHEK1FGFR1AURKAAURKB
SCHEMBL3922504 0.78 KDR (0.49) KDRCHEK1FGFR1AURKAAURKB
SCHEMBL3922501 0.78 KDR (0.49) KDRCHEK1FGFR1AURKAAURKB

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-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 — — EP disclosed
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