SCHEMBL31380729

SCHEMBL31380729

COc1ccc(CSc2nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3ncn(C4CCC4)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 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
SCHEMBL31380750 0.83 KRAS (0.40) KRAS
SCHEMBL31380786 0.77 KRAS (0.42) KRAS
SCHEMBL31380773 0.77 KRAS (0.39) KRAS
SCHEMBL31380705 0.76 TDP1 (0.41) —
SCHEMBL31380764 0.73 KRAS (0.40) KRAS
SCHEMBL31380899 0.73 KRAS (0.39) KRAS
SCHEMBL31380824 0.71 KRAS (0.43) KRAS
SCHEMBL31380723 0.70 KRAS (0.38) KRAS
SCHEMBL30699753 0.69 KRAS (0.41) KRAS
SCHEMBL31380696 0.68 KRAS (0.42) KRAS

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-2025026903-A1 IMIDAZO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-02-06 — — WO disclosed
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