SCHEMBL27139968

SCHEMBL27139968

CN(c1ccccc1)c1nccc(-c2ccc(O)nc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.49
▸ GSK3B P49841 2/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ DKK1 O94907 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ ACACB O00763 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 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
SCHEMBL27154223 0.83 DYRK1A (0.48) DYRK1AGSK3BCDK2MEN1KMT2A
SCHEMBL10973666 0.82 GSK3B (0.55) DYRK1AGSK3BCDK2MEN1KMT2A
SCHEMBL27116290 0.81 DYRK1A (0.47) DYRK1AGSK3BCDK2PTGS1PTGS2
SCHEMBL27119298 0.78 DYRK1A (0.47) DYRK1AGSK3BCDK2MEN1KMT2A
SCHEMBL27116293 0.78 DYRK1A (0.49) DYRK1AGSK3BCDK2MEN1KMT2A
SCHEMBL10019585 0.78 DYRK1A (0.49) DYRK1AGSK3BCDK2PTGS1PTGS2
SCHEMBL10973799 0.78 GSK3B (0.51) DYRK1AGSK3BCDK2MEN1KMT2A
SCHEMBL10019584 0.77 DYRK1A (0.48) DYRK1AGSK3BCDK2MEN1KMT2A
SCHEMBL10972910 0.76 NPC1 (0.51) DYRK1AGSK3BCDK2MEN1KMT2A
SCHEMBL27116235 0.72 KDM4E (0.50) DYRK1ACDK2MEN1KMT2ADYRK1B

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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