SCHEMBL21895551

SCHEMBL21895551

CCCCCOc1nc2c(c(N(CCC)CC(C)CC#N)n1)CCN(c1cccc3ccc(F)cc13)C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 9/20 0.33
▸ DRD2 P14416 8/20 0.33
▸ HTR2A P28223 8/20 0.33
▸ HTR1A P08908 7/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ SLC6A4 P31645 3/20 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
SCHEMBL21846371 0.85 KRAS (0.40) KRAS
SCHEMBL21846279 0.83 KRAS (0.36) KRAS
SCHEMBL19637410 0.82 KRAS (0.37) KRASDRD2HTR2AHTR1AKCNH2
SCHEMBL22087711 0.76 KRAS (0.34) KRAS
SCHEMBL22087714 0.73 KRAS (0.47) KRAS
SCHEMBL22994735 0.71 KRAS (0.51) KRAS
SCHEMBL21846368 0.69 KRAS (0.58) KRAS
SCHEMBL21895552 0.67 KRAS (0.32) KRAS
SCHEMBL19637424 0.66 KRAS (0.45) KRAS
SCHEMBL22994794 0.65 KRAS (0.59) KRAS

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