SCHEMBL30704185

SCHEMBL30704185

C[C@H]1CNCCN1c1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2ccncc12

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.47

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
SCHEMBL30704205 0.87 KRAS (0.54) KRAS
SCHEMBL30704125 0.80 KRAS (0.46) KRAS
SCHEMBL29418819 0.80 KRAS (0.48) KRAS
SCHEMBL30704160 0.80 KRAS (0.48) KRAS
SCHEMBL31194908 0.79 KRAS (0.47) KRAS
SCHEMBL25539910 0.76 KRAS (0.48) KRAS
SCHEMBL29680145 0.76 KRAS (0.51) KRAS
SCHEMBL30391045 0.76 KRAS (0.47) KRAS
SCHEMBL30391732 0.76 KRAS (0.47) KRAS
SCHEMBL30391087 0.76 KRAS (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4536668-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2025-04-16 — — EP disclosed
WO-2023240188-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-12-14 — — WO disclosed
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