SCHEMBL31106019

SCHEMBL31106019

Cc1ccc2c(cnn2C2CCCCO2)c1NC(=O)c1cnc(Nc2cc(C(=O)O)ccn2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 14/20 0.45
▸ BTK Q06187 5/20 0.40
▸ HCK P08631 5/20 0.40
▸ MAPK13 O15264 2/20 0.39
▸ EGFR P00533 2/20 0.39
▸ FYN P06241 2/20 0.39
▸ SRC P12931 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ MAPK12 P53778 2/20 0.39
▸ MAPK11 Q15759 2/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ SIK1 P57059 1/20 0.39
▸ SIK2 Q9H0K1 1/20 0.39
▸ SIK3 Q9Y2K2 1/20 0.39
▸ ERBB2 P04626 1/20 0.38
▸ YES1 P07947 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ FGR P09769 1/20 0.38
▸ KIT P10721 1/20 0.38

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
SCHEMBL31105942 0.90 LCK (0.42) LCKBTKHCKMAPK13EGFR
SCHEMBL31106051 0.88 MAPK14 (0.46) LCKBTKHCKMAPK13EGFR
SCHEMBL31105865 0.86 LCK (0.46) LCKBTKHCKMAPK13EGFR
SCHEMBL31705188 0.84 LCK (0.52) LCKHCKMAPK13EGFRFYN
SCHEMBL31105903 0.84 LCK (0.38) LCKBTKHCKMAPK13EGFR
SCHEMBL31105889 0.83 HCK (0.44) LCKBTKHCKMAPK13EGFR
SCHEMBL31105912 0.83 MAPK14 (0.50) LCKBTKHCKMAPK13EGFR
SCHEMBL31105895 0.83 LCK (0.44) LCKBTKHCKMAPK13EGFR
SCHEMBL31105893 0.82 LCK (0.41) LCKHCKMAPK13EGFRFYN
SCHEMBL31105905 0.82 MAPK14 (0.41) LCKBTKHCKMAPK13EGFR

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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