SCHEMBL27138987

SCHEMBL27138987

CN(c1cccc(C(F)(F)F)c1)c1nccc(-c2ccnc(O)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.47
▸ EGFR P00533 2/20 0.42
▸ CSF1R P07333 2/20 0.42
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ CLK1 P49759 2/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ DYRK1B Q9Y463 2/20 0.39
▸ CTSS P25774 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ SMG1 Q96Q15 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ IDH2 P48735 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL27116411 0.84 KMO (0.44) KMODYRK1ACLK1CLK2CLK4
SCHEMBL27154223 0.82 DYRK1A (0.48) KMODYRK1ACLK1CLK2CLK4
SCHEMBL27119299 0.79 CLK1 (0.44) EGFRDYRK1ACLK1CLK2CLK4
SCHEMBL30017069 0.77 EGFR (0.50) EGFRCSF1RRXRARXRBRXRG
SCHEMBL2951568 0.74 KMO (0.44) KMOGSK3B
SCHEMBL27116471 0.72 CLK1 (0.66) DYRK1ACLK1CLK2CLK4DYRK1B
SCHEMBL13273287 0.71 KMO (0.62) KMOCTSSKDM4EALDH1A1KDM1A
SCHEMBL7626033 0.69 KMO (0.55) KMOCTSS
SCHEMBL23553784 0.69 CYP19A1 (0.43) EGFRCSF1RRXRARXRBRXRG
SCHEMBL14028480 0.69 GSK3B (0.45) KMOGRM5GSK3BSMN1; SMN2

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 2 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
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