SCHEMBL27119299

SCHEMBL27119299

CN(c1cccc(C(F)(F)F)c1)c1nc(-c2cccc(Nc3nccc(-c4cncc(O)c4)n3)c2)cc(-c2ccnc(O)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44
▸ MTOR P42345 1/20 0.43
▸ SMG1 Q96Q15 1/20 0.43
▸ ABL1 P00519 7/20 0.43
▸ BCR P11274 7/20 0.43
▸ SYK P43405 3/20 0.42
▸ PLK1 P53350 2/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ CDK2 P24941 3/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ SRC P12931 2/20 0.40
▸ PRKCA P17252 2/20 0.40
▸ AURKA O14965 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ PRKCD Q05655 1/20 0.39

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
SCHEMBL27116019 0.81 CLK1 (0.59) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27138987 0.79 KMO (0.47) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27116471 0.78 CLK1 (0.66) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27115596 0.75 SYK (0.65) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL4737084 0.73 SYK (0.62) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL9014180 0.72 ABL1 (0.68) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27144345 0.71 SYK (0.49) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27116018 0.71 ABL1 (0.55) ABL1BCRPLK1CDK2SRC
SCHEMBL3514414 0.70 AURKA (0.64) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL15533886 0.70 CLK1 (0.67) CLK1CLK2DYRK1ACLK4DYRK1B

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-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 — — WO disclosed
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