SCHEMBL30813549

SCHEMBL30813549

COc1ccc(CNc2ncnc3c2c(I)nn3C2CCC(O)CC2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 10/20 0.48
▸ MAPK1 P28482 6/20 0.48
▸ CDC7 O00311 1/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ DYRK3 O43781 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ INSR P06213 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ RET P07949 1/20 0.48
▸ ROS1 P08922 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ FER P16591 1/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ RPS6KB1 P23443 1/20 0.48
▸ CDK2 P24941 1/20 0.48

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
SCHEMBL27217928 1.00 CLK4 (0.48) CLK4MAPK1CDC7PLK4DYRK3
SCHEMBL27217855 0.95 CYP1A2 (0.46) CLK4MAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL30813425 0.90 CYP1A2 (0.45) CLK4MAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL27217798 0.90 CYP1A2 (0.45) CLK4MAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL27217936 0.88 CYP1A2 (0.42) CLK4MAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL30813667 0.88 CYP1A2 (0.42) CLK4MAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL27217779 0.88 EGFR (0.41) CLK4MAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL30813353 0.86 CYP1A2 (0.43) CLK4MAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL27218013 0.86 CYP1A2 (0.43) CLK4MAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL27217878 0.86 CYP1A2 (0.43) CLK4MAPK1CYP1A2CYP3A4CYP2C19

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-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 — — WO disclosed
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