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Sugi Predict / Compounds / SCHEMBL4729989

SCHEMBL4729989

SCHEMBL4729989

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NNC(C)(C)C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.43
▸ RAF1 P04049 11/20 0.40
▸ BRAF P15056 10/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ POLQ O75417 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTPN1 P18031 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
SCHEMBL4727823 0.91 MAPK14 (0.45) MAPK14RAF1BRAFTRPV1PTPN1
SCHEMBL4728370 0.91 MAPK14 (0.45) MAPK14RAF1BRAFTRPV1POLQ
SCHEMBL4730324 0.89 MAPK14 (0.42) MAPK14RAF1BRAFTRPV1POLQ
SCHEMBL4728030 0.89 MAPK14 (0.42) MAPK14RAF1BRAFTRPV1POLQ
SCHEMBL4725924 0.88 MAPK14 (0.43) MAPK14RAF1BRAFTRPV1
SCHEMBL4725981 0.87 MAPK14 (0.42) MAPK14RAF1BRAFTRPV1POLQ
SCHEMBL4726042 0.87 MAPK14 (0.42) MAPK14RAF1BRAFTRPV1SMN1; SMN2
SCHEMBL4783017 0.87 MAPK14 (0.41) MAPK14RAF1BRAFTRPV1
SCHEMBL4729144 0.86 MAPK14 (0.41) MAPK14RAF1BRAFTRPV1POLQ
SCHEMBL4727004 0.86 RAF1 (0.43) MAPK14RAF1BRAF

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 — — WO disclosed