SCHEMBL25019891

SCHEMBL25019891

CCCc1c(C)nc(OC[C@@H]2CCCN2C)nc1N1CCNC(CC#N)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 17/20 0.39
▸ SOS1 Q07889 4/20 0.39
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CHRNB3 Q05901 1/20 0.36

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
SCHEMBL25021516 0.93 KRAS (0.39) KRASSOS1CHRNB1CHRNB2CHRNB4
SCHEMBL25021052 0.93 KRAS (0.39) KRASSOS1CHRNB1CHRNB2CHRNB4
SCHEMBL23156819 0.80 KRAS (0.45) KRASSOS1
SCHEMBL23156751 0.80 KRAS (0.45) KRASSOS1
SCHEMBL21005734 0.79 KRAS (0.47) KRASSOS1
SCHEMBL23481644 0.79 KRAS (0.45) KRASSOS1
SCHEMBL28997244 0.77 KRAS (0.46) KRASSOS1
SCHEMBL28997241 0.77 KRAS (0.46) KRASSOS1
SCHEMBL26947438 0.77 KRAS (0.53) KRAS
SCHEMBL28589813 0.75 KRAS (0.48) KRASSOS1

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
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
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