SCHEMBL27116136

SCHEMBL27116136

Oc1ccc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)cn1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.62
▸ CLK2 P49760 1/20 0.62
▸ DYRK1A Q13627 1/20 0.62
▸ CLK4 Q9HAZ1 1/20 0.62
▸ DYRK1B Q9Y463 1/20 0.62
▸ AURKA O14965 8/20 0.59
▸ MTOR P42345 1/20 0.56
▸ SMG1 Q96Q15 1/20 0.56
▸ GSK3B P49841 6/20 0.54
▸ CDK2 P24941 3/20 0.54
▸ CDK4 P11802 1/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ ABL1 P00519 1/20 0.51
▸ BCR P11274 1/20 0.51
▸ CTSC P53634 1/20 0.51

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
SCHEMBL30847409 0.87 CLK1 (0.66) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27110252 0.87 CLK1 (0.66) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27116471 0.87 CLK1 (0.66) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27116178 0.86 CDC7 (0.58) GSK3BCDK2CDK4MAPK8ABL1
SCHEMBL15533886 0.85 CLK1 (0.67) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL9014180 0.85 ABL1 (0.68) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27119203 0.85 AURKA (0.63) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27115596 0.84 SYK (0.65) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27116137 0.84 GSK3B (0.65) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27116019 0.83 CLK1 (0.59) 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 3 patents. 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 claimed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 — — WO disclosed
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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