SCHEMBL21912065

SCHEMBL21912065

CCOc1nc(C)c(CC)c(N(CC)CCCC#N)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL19637446 0.90 KDM4E (0.36) KDM4EMAPTHPGDNPSR1MEN1
SCHEMBL22994752 0.89 KDM4E (0.35) KDM4EMAPTHPGDNPSR1MEN1
SCHEMBL19636821 0.88 KDM4E (0.37) KDM4EMAPTHPGDNPSR1MEN1
SCHEMBL22994768 0.88 KDM4E (0.32) KDM4EMAPTHPGDNPSR1MEN1
SCHEMBL22994676 0.84 KDM4E (0.34) KDM4EMAPTHPGDNPSR1MEN1
SCHEMBL19637369 0.82 HTT (0.35) MEN1KMT2A
SCHEMBL21896269 0.80 CHRNB2 (0.36) —
SCHEMBL25019973 0.78 — —
SCHEMBL25020961 0.77 KDM4E (0.34) KDM4EMAPTHPGDNPSR1MEN1
SCHEMBL19637079 0.72 HTT (0.32) KDM4EMAPTHPGDALDH1A1

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-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 — — EP disclosed
WO-2020055755-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
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