SCHEMBL19637201

SCHEMBL19637201

C=CC(=O)N1CCN(c2nc(OCCI)nc3c2CCN(c2cc(O)cc4ccccc24)C3C)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.61
SOS1 Q07889 1/20 0.39

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
SCHEMBL19637202 0.93 KRAS (0.62) KRASSOS1
SCHEMBL19637069 0.91 KRAS (0.74) KRASSOS1
SCHEMBL21912118 0.84 KRAS (0.63) KRAS
SCHEMBL25021352 0.82 KRAS (0.63) KRAS
SCHEMBL19616813 0.81 KRAS (0.60) KRAS
SCHEMBL19948175 0.81 KRAS (0.60) KRAS
SCHEMBL19617059 0.79 KRAS (0.60) KRAS
SCHEMBL22440393 0.79 KRAS (0.60) KRAS
SCHEMBL19959171 0.79 KRAS (0.65) KRAS
SCHEMBL20974988 0.78 KRAS (0.56) 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-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 WO disclosed