SCHEMBL31106116

SCHEMBL31106116

Cc1ccc2c(cnn2C2CCCCO2)c1NC(=O)c1cnc(Nc2cc(C)n(CCC#N)n2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 13/20 0.38
▸ ABL1 P00519 7/20 0.37
▸ SIK1 P57059 5/20 0.37
▸ SIK2 Q9H0K1 5/20 0.37
▸ SIK3 Q9Y2K2 5/20 0.37
▸ SRC P12931 5/20 0.37
▸ EGFR P00533 3/20 0.37
▸ FYN P06241 3/20 0.37
▸ HCK P08631 3/20 0.37
▸ MAPK14 Q16539 3/20 0.37
▸ EPHB6 O15197 2/20 0.37
▸ CSF1R P07333 2/20 0.37
▸ YES1 P07947 2/20 0.37
▸ LYN P07948 2/20 0.37
▸ RET P07949 2/20 0.37
▸ KIT P10721 2/20 0.37
▸ BCR P11274 2/20 0.37
▸ BRAF P15056 2/20 0.37
▸ EPHA1 P21709 2/20 0.37
▸ EPHA2 P29317 2/20 0.37

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
SCHEMBL31105903 0.89 LCK (0.38) LCKABL1SRCEGFRFYN
SCHEMBL31105995 0.82 LCK (0.37) LCKABL1SIK1SIK2SIK3
SCHEMBL31106019 0.80 LCK (0.45) LCKABL1SIK1SIK2SIK3
SCHEMBL31105889 0.80 HCK (0.44) LCKABL1SIK1SIK2SIK3
SCHEMBL31105912 0.80 MAPK14 (0.50) LCKSRCEGFRFYNHCK
SCHEMBL31105942 0.80 LCK (0.42) LCKABL1SRCEGFRFYN
SCHEMBL31105865 0.78 LCK (0.46) LCKABL1SRCEGFRFYN
SCHEMBL31105895 0.78 LCK (0.44) LCKABL1SRCEGFRFYN
SCHEMBL31105893 0.78 LCK (0.41) LCKSRCEGFRFYNHCK
SCHEMBL31106051 0.78 MAPK14 (0.46) LCKABL1SRCEGFRFYN

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-2024184520-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-09-12 — — WO disclosed
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