SCHEMBL24392928

SCHEMBL24392928

COc1ccc(N)cc1Oc1nc(Nc2cnn(C)c2)ncc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ MAP2K1 Q02750 1/20 0.53
▸ CDK19 Q9BWU1 3/20 0.52
▸ ALK Q9UM73 3/20 0.52
▸ JAK2 O60674 3/20 0.51
▸ JAK1 P23458 2/20 0.51
▸ TYK2 P29597 2/20 0.51
▸ JAK3 P52333 2/20 0.51
▸ EGFR P00533 3/20 0.50
▸ CDC7 O00311 1/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ PAK4 O96013 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ SYK P43405 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
SCHEMBL29537689 1.00 MAP3K7 (0.53) MAP3K7MAPK1MAP2K1CDK19ALK
SCHEMBL29538154 0.88 MAPK1 (0.53) MAP3K7MAPK1MAP2K1CDK19ALK
SCHEMBL24393173 0.88 MAPK1 (0.53) MAP3K7MAPK1MAP2K1CDK19ALK
SCHEMBL29499593 0.84 CDK19 (0.57) MAP3K7MAPK1MAP2K1CDK19ALK
SCHEMBL28744905 0.84 CDK19 (0.57) MAP3K7MAPK1MAP2K1CDK19ALK
SCHEMBL29250611 0.84 EGFR (0.53) MAP3K7MAPK1MAP2K1CDK19ALK
SCHEMBL24392718 0.81 MAP3K7 (0.71) MAP3K7MAPK1MAP2K1ALKJAK2
SCHEMBL24388679 0.76 CDK19 (0.43) MAP3K7MAPK1MAP2K1CDK19ALK
SCHEMBL29507822 0.76 CDK19 (0.43) MAP3K7MAPK1MAP2K1CDK19ALK
SCHEMBL28744863 0.76 MAP3K7 (0.58) MAP3K7MAPK1MAP2K1CDK19ALK

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-2022094354-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
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