SCHEMBL25590776

SCHEMBL25590776

Cc1ccc(-c2cnn(C)c2)nc1C(=O)Nc1ccc(C(=O)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.46
▸ CSF1R P07333 8/20 0.46
▸ KIT P10721 3/20 0.46
▸ BRAF P15056 3/20 0.43
▸ RAF1 P04049 2/20 0.43
▸ AURKA O14965 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ YES1 P07947 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ HCK P08631 1/20 0.42
▸ FGR P09769 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ CSK P41240 1/20 0.42
▸ BLK P51451 1/20 0.42
▸ BMX P51813 1/20 0.42
▸ SRMS Q9H3Y6 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ CLK2 P49760 1/20 0.41

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
SCHEMBL25590396 0.88 CSF1R (0.53) ABL1CSF1RKITBRAFRAF1
SCHEMBL25593891 0.87 GSK3B (0.45) TRPV1CLK2CLK3DYRK1A
SCHEMBL25590395 0.87 IDO1 (0.48) ABL1CSF1RKITAURKBCLK2
SCHEMBL25590895 0.87 CLK2 (0.44) ABL1CSF1RKITAURKAAURKB
SCHEMBL25590389 0.85 NPC1 (0.47) CSF1RKITAURKAAURKBCLK2
SCHEMBL25590401 0.85 AURKB (0.52) ABL1CSF1RKITAURKAAURKB
SCHEMBL25590393 0.82 EP300 (0.46) KITCLK2
SCHEMBL25591365 0.82 MAOB (0.47) ABL1CSF1RKITBRAFRAF1
SCHEMBL25590684 0.82 GSK3B (0.49) ABL1AURKAAURKBCLK2DYRK1A
SCHEMBL25590786 0.81 MAPT (0.48) CLK2DYRK1A

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-2023088435-A1 PREPARATION FOR TRISUBSTITUTED PYRIDINE DERIVATIVE AND APPLICATION AS AROMATIC HYDROCARBON RECEPTOR MODULATOR 成都奥睿药业有限公司 2023-05-25 — — WO disclosed
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