SCHEMBL31105912

SCHEMBL31105912

CCNc1ncc(C(=O)Nc2c(C)ccc3c2cnn3C2CCCCO2)s1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.50
▸ LCK P06239 11/20 0.44
▸ MAPK13 O15264 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ HCK P08631 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ BTK Q06187 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36

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
SCHEMBL31105893 0.88 LCK (0.41) MAPK14LCKMAPK13EGFRFYN
SCHEMBL31705188 0.87 LCK (0.52) MAPK14LCKMAPK13EGFRFYN
SCHEMBL31105951 0.85 LCK (0.43) MAPK14LCKMAPK13EGFRFYN
SCHEMBL31105942 0.83 LCK (0.42) MAPK14LCKMAPK13EGFRFYN
SCHEMBL31106051 0.83 MAPK14 (0.46) MAPK14LCKMAPK13EGFRFYN
SCHEMBL31106019 0.83 LCK (0.45) MAPK14LCKMAPK13EGFRFYN
SCHEMBL31106079 0.82 LCK (0.38) MAPK14LCKMAPK13EGFRFYN
SCHEMBL31105889 0.82 HCK (0.44) MAPK14LCKMAPK13EGFRFYN
SCHEMBL31105865 0.82 LCK (0.46) MAPK14LCKMAPK13EGFRFYN
SCHEMBL31105903 0.82 LCK (0.38) MAPK14LCKMAPK13EGFRFYN

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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