SCHEMBL30931972

SCHEMBL30931972

N#CCCn1cc(-c2ccc3c(C#N)cnn3c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ JAK2 O60674 9/20 0.40
▸ TYK2 P29597 8/20 0.40
▸ JAK1 P23458 8/20 0.39
▸ JAK3 P52333 6/20 0.39
▸ STAT3 P40763 5/20 0.39
▸ ABL1 P00519 2/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ RET P07949 2/20 0.35
▸ KDR P35968 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34

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
SCHEMBL31580378 0.93 CREBBP (0.40) CREBBPKDM5AJAK2TYK2JAK1
SCHEMBL31589834 0.87 CREBBP (0.41) CREBBPUSP30KITRET
SCHEMBL31590468 0.87 KIT (0.48) CREBBPJAK2TYK2JAK1JAK3
SCHEMBL31589890 0.87 CREBBP (0.44) CREBBPUSP30RET
SCHEMBL30932003 0.85 KIT (0.41) CREBBPJAK2TYK2JAK1JAK3
SCHEMBL30931984 0.84 CREBBP (0.43) CREBBPKDM5AABL1USP30RET
SCHEMBL31590410 0.84 CREBBP (0.40) CREBBPUSP30RET
SCHEMBL30932039 0.84 RET (0.44) CREBBPKDM5AABL1USP30RET
SCHEMBL31589666 0.83 JAK2 (0.41) CREBBPJAK2TYK2JAK1JAK3
SCHEMBL30932021 0.81 RET (0.41) CREBBPRET

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
CN-120051471-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2025-05-27 — — CN disclosed
WO-2025102600-A1 NOVEL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2025-05-22 — — WO disclosed
WO-2024083111-A1 NOVEL HETEROCYCLIC COMPOUNDS 首药控股(北京)股份有限公司 2024-04-25 — — WO disclosed
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