SCHEMBL22103519

SCHEMBL22103519

Cc1ccccc1-n1c(=O)nc(NCCN)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 17/20 0.53
▸ BCDIN3D Q7Z5W3 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL22103518 0.94 MAT2A (0.52) MAT2ARXFP1
SCHEMBL22093050 0.89 MAT2A (0.51) MAT2ARXFP1
SCHEMBL22103589 0.88 MAT2A (0.69) MAT2A
SCHEMBL22103389 0.88 MAT2A (0.49) MAT2ARXFP1
SCHEMBL22093051 0.88 MAT2A (0.49) MAT2ARXFP1
SCHEMBL22103703 0.88 MAT2A (0.49) MAT2A
SCHEMBL22093601 0.87 MAT2A (0.48) MAT2A
SCHEMBL29570300 0.87 MAT2A (0.48) MAT2A
SCHEMBL22094146 0.87 MAT2A (0.50) MAT2A
SCHEMBL29569921 0.87 MAT2A (0.50) MAT2A

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-2020123395-A1 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-06-18 — — WO disclosed
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