SCHEMBL22994752

SCHEMBL22994752

CCc1c(C)nc(OC)nc1N(CC)CCCC#N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NMT2 O60551 3/20 0.34
▸ NMT1 P30419 3/20 0.34
▸ KDM5A P29375 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21912065 0.89 KDM4E (0.34) KDM4EMEN1MAPTHPGDKMT2A
SCHEMBL19637446 0.86 KDM4E (0.36) KDM4EMEN1MAPTHPGDKMT2A
SCHEMBL19636821 0.84 KDM4E (0.37) KDM4EMEN1MAPTHPGDKMT2A
SCHEMBL22994768 0.84 KDM4E (0.32) KDM4EMEN1MAPTHPGDKMT2A
SCHEMBL22994676 0.81 KDM4E (0.34) KDM4EMEN1MAPTHPGDKMT2A
SCHEMBL25020961 0.78 KDM4E (0.34) KDM4EMEN1MAPTHPGDKMT2A
SCHEMBL25019973 0.76 — —
SCHEMBL21896269 0.76 CHRNB2 (0.36) —
SCHEMBL19637255 0.69 HTT (0.34) MAPTHPGD
SCHEMBL19637369 0.68 HTT (0.35) MEN1KMT2A

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-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 — — EP disclosed
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