SCHEMBL31344907

SCHEMBL31344907

CC(C)(C)OC(=O)N1CCN(c2nc(OCC34CCCN3CCC4)nc3c2CCNC3)C[C@@H]1CC#N

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.45
SOS1 Q07889 3/20 0.45
VHL P40337 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37

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
SCHEMBL21319823 1.00 KRAS (0.45) KRASSOS1VHLCDK7CCNH
SCHEMBL21319909 0.91 KRAS (0.43) KRASSOS1VHLCDK7CCNH
SCHEMBL31344938 0.91 KRAS (0.43) KRASSOS1VHLCDK7CCNH
SCHEMBL19636820 0.91 KRAS (0.43) KRASSOS1VHLCDK7CCNH
SCHEMBL21315045 0.90 KRAS (0.46) KRASSOS1VHLCDK7CCNH
SCHEMBL29239725 0.87 KRAS (0.43) KRASSOS1VHLCDK7CCNH
SCHEMBL19637243 0.87 KRAS (0.39) KRASSOS1VHLCDK7CCNH
SCHEMBL21315048 0.86 KRAS (0.45) KRASSOS1VHLCDK7CCNH
SCHEMBL19959303 0.85 KRAS (0.39) KRASSOS1VHLCDK7CCNH
SCHEMBL29493406 0.85 KRAS (0.39) KRASSOS1VHLCDK7CCNH

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-4501932-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2025-02-05 EP disclosed
EP-3880208-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-11-20 EP disclosed