SCHEMBL22103647

SCHEMBL22103647

O=c1nc(N[C@H]2C(c3cccc(-n4c(=O)nc(N[C@@H]5C(c6cccc(-n7c(=O)nc(N[C@@H]8C[C@H]8F)c8ccc(C(F)(F)F)cc87)c6Cl)[C@H]5F)c5ccc(C(F)(F)F)cc54)c3Cl)[C@@H]2F)c2ccc(C(F)(F)F)cc2n1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 20/20 0.42

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
SCHEMBL29570393 0.89 MAT2A (0.50) MAT2A
SCHEMBL29571080 0.89 MAT2A (0.50) MAT2A
SCHEMBL22103111 0.89 MAT2A (0.50) MAT2A
SCHEMBL22103115 0.89 MAT2A (0.50) MAT2A
SCHEMBL22103588 0.89 MAT2A (0.50) MAT2A
SCHEMBL29570193 0.89 MAT2A (0.50) MAT2A
SCHEMBL22103592 0.89 MAT2A (0.50) MAT2A
SCHEMBL29571018 0.89 MAT2A (0.50) MAT2A
SCHEMBL22103695 0.78 MAT2A (0.50) MAT2A
SCHEMBL30894470 0.78 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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