SCHEMBL20559863

SCHEMBL20559863

C[C@H](Nc1cccc(-n2ccnc2)c1)c1cc2cccc(Cl)c2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 9/20 0.49
▸ IDO1 P14902 1/20 0.43
▸ ABL1 P00519 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ DAO P14920 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PARP3 Q9Y6F1 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36

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
SCHEMBL20559837 0.90 IDH1 (0.47) IDH1IDO1ABL1PDGFRBBCR
SCHEMBL20559889 0.87 IDH1 (0.48) IDH1IDO1ABL1PDGFRBBCR
SCHEMBL20559994 0.86 IDH1 (0.45) IDH1IDO1ABL1PDGFRBBCR
SCHEMBL17603523 0.85 IDH1 (0.50) IDH1IDO1ABL1PDGFRBBCR
SCHEMBL20560036 0.85 IDH1 (0.50) IDH1IDO1ABL1PDGFRBBCR
SCHEMBL17603416 0.84 IDH1 (0.56) IDH1IDO1ABL1PDGFRBBCR
SCHEMBL20559954 0.84 IDH1 (0.69) IDH1
SCHEMBL17603444 0.84 IDH1 (0.69) IDH1
SCHEMBL20559356 0.84 IDH1 (0.56) IDH1IDO1ABL1PDGFRBBCR
SCHEMBL20559734 0.84 IDH1 (0.52) IDH1IDO1

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-3194375-B1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2018-11-21 — — EP claimed
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