SCHEMBL27119202

SCHEMBL27119202

Oc1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)ncn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.60
▸ KDM4E B2RXH2 1/20 0.56
▸ CLK1 P49759 1/20 0.55
▸ CLK2 P49760 1/20 0.55
▸ DYRK1A Q13627 1/20 0.55
▸ CLK4 Q9HAZ1 1/20 0.55
▸ DYRK1B Q9Y463 1/20 0.55
▸ MTOR P42345 1/20 0.54
▸ SMG1 Q96Q15 1/20 0.54
▸ CDK2 P24941 4/20 0.51
▸ CDK4 P11802 1/20 0.51
▸ GSK3B P49841 4/20 0.50
▸ IDH2 P48735 2/20 0.50
▸ MAPK8 P45983 1/20 0.50

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
SCHEMBL27116471 0.86 CLK1 (0.66) AURKAKDM4ECLK1CLK2DYRK1A
SCHEMBL27110252 0.81 CLK1 (0.66) AURKACLK1CLK2DYRK1ACLK4
SCHEMBL30847409 0.81 CLK1 (0.66) AURKACLK1CLK2DYRK1ACLK4
SCHEMBL5732656 0.81 AURKA (0.66) AURKAKDM4ECLK1CLK2DYRK1A
SCHEMBL27116136 0.81 CLK1 (0.62) AURKACLK1CLK2DYRK1ACLK4
SCHEMBL27115596 0.80 SYK (0.65) AURKACLK1CLK2DYRK1ACLK4
SCHEMBL15533886 0.79 CLK1 (0.67) AURKAKDM4ECLK1CLK2DYRK1A
SCHEMBL4901590 0.78 ABL1 (0.67) AURKAKDM4ECLK1CLK2DYRK1A
SCHEMBL4737084 0.78 SYK (0.62) AURKACLK1CLK2DYRK1ACLK4
SCHEMBL13924473 0.78 SYK (0.74) AURKACLK1CLK2DYRK1ACLK4

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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