SCHEMBL21896269

SCHEMBL21896269

CCc1c(C)nc(OC[C@@H]2CCCN2C)nc1N(CC)CCCC#N

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 7/20 0.36
▸ CHRNA4 P43681 6/20 0.36
▸ CHRNA3 P32297 4/20 0.36
▸ CHRNB1 P11230 3/20 0.36
▸ CHRNB4 P30926 3/20 0.36
▸ CHRNB3 Q05901 3/20 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
SCHEMBL21912138 0.89 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL22086716 0.87 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4
SCHEMBL25019973 0.83 — —
SCHEMBL21912065 0.80 KDM4E (0.34) —
SCHEMBL19637446 0.78 KDM4E (0.36) —
SCHEMBL22994752 0.76 KDM4E (0.35) —
SCHEMBL22994768 0.76 KDM4E (0.32) —
SCHEMBL19636821 0.76 KDM4E (0.37) —
SCHEMBL22994676 0.73 KDM4E (0.34) —
SCHEMBL25021516 0.69 KRAS (0.39) CHRNB2CHRNA4CHRNA3CHRNB1CHRNB4

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 3 patents. 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
WO-2020055756-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
WO-2020055755-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
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