SCHEMBL30184069

SCHEMBL30184069

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc([N+](=O)[O-])cc3P(C)(C)=O)n1)CN(C)CC2

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 18/20 0.77
▸ ALK Q9UM73 2/20 0.59

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
SCHEMBL25338027 1.00 MAP4K1 (0.77) MAP4K1ALK
SCHEMBL25947622 0.89 MAP4K1 (0.65) MAP4K1ALK
SCHEMBL30184199 0.88 MAP4K1 (0.81) MAP4K1ALK
SCHEMBL30183987 0.88 MAP4K1 (0.81) MAP4K1ALK
SCHEMBL25339279 0.88 MAP4K1 (0.81) MAP4K1ALK
SCHEMBL25338147 0.88 MAP4K1 (0.81) MAP4K1ALK
SCHEMBL30875695 0.87 MAP4K1 (0.62) MAP4K1ALK
Hydrochloric Acid SCHEMBL25337589 0.87 MAP4K1 (0.80) MAP4K1ALK
SCHEMBL30184122 0.87 MAP4K1 (0.80) MAP4K1ALK
SCHEMBL25338462 0.87 MAP4K1 (0.80) MAP4K1ALK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367123-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS Glenmark Specialty S.A. (CH) 2024-05-15 — — EP disclosed
WO-2023281417-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALTY S.A. (CH) 2023-01-12 — — WO disclosed
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