SCHEMBL27110252

SCHEMBL27110252

Oc1ccc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.66
▸ CLK2 P49760 1/20 0.66
▸ DYRK1A Q13627 1/20 0.66
▸ CLK4 Q9HAZ1 1/20 0.66
▸ DYRK1B Q9Y463 1/20 0.66
▸ AURKA O14965 6/20 0.63
▸ SYK P43405 3/20 0.62
▸ MTOR P42345 1/20 0.59
▸ SMG1 Q96Q15 1/20 0.59
▸ GSK3B P49841 4/20 0.58
▸ CDK2 P24941 3/20 0.58
▸ PLK1 P53350 3/20 0.57
▸ PIK3CA P42336 1/20 0.53
▸ PIK3CG P48736 1/20 0.53
▸ SRC P12931 1/20 0.53
▸ ZAP70 P43403 1/20 0.53
▸ CDK4 P11802 1/20 0.53

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 1.00 CLK1 (0.66) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27115596 0.89 SYK (0.65) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL15533886 0.88 CLK1 (0.67) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27116471 0.88 CLK1 (0.66) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL4738297 0.88 PLK1 (0.68) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL4901590 0.88 ABL1 (0.67) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27116136 0.87 CLK1 (0.62) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL4737084 0.87 SYK (0.62) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27116019 0.86 CLK1 (0.59) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27115951 0.84 PIK3CG (0.62) SYKGSK3BCDK2PLK1PIK3CA

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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