SCHEMBL22994676

SCHEMBL22994676

CCCCSCOc1nc(C)c(CC)c(N(CC)CCCC#N)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

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
▸ NMT2 O60551 2/20 0.31
▸ NMT1 P30419 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19636821 0.85 KDM4E (0.37) KDM4EMAPTHPGDNPSR1MEN1
SCHEMBL21912065 0.84 KDM4E (0.34) KDM4EMAPTHPGDNPSR1MEN1
SCHEMBL19637446 0.82 KDM4E (0.36) KDM4EMAPTHPGDNPSR1MEN1
SCHEMBL22994752 0.81 KDM4E (0.35) KDM4EMAPTHPGDNPSR1MEN1
SCHEMBL22994768 0.81 KDM4E (0.32) KDM4EMAPTHPGDNPSR1MEN1
SCHEMBL21896269 0.73 CHRNB2 (0.36) —
SCHEMBL25019973 0.71 — —
SCHEMBL25020961 0.70 KDM4E (0.34) KDM4EMAPTHPGDNPSR1MEN1
SCHEMBL22087278 0.69 — —
SCHEMBL19637369 0.67 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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