SCHEMBL31590468

SCHEMBL31590468

N#Cc1cnn2cc(-c3cnn(CCO)c3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.48
▸ MAP4K4 O95819 1/20 0.44
▸ CREBBP Q92793 1/20 0.41
▸ NAMPT P43490 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ RET P07949 10/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PDK2 Q15119 2/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ MET P08581 1/20 0.36

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
SCHEMBL30932003 0.93 KIT (0.41) KITMAP4K4CREBBPRETJAK2
SCHEMBL31589890 0.87 CREBBP (0.44) CREBBPNAMPTPRMT5WDR77RET
SCHEMBL31589834 0.87 CREBBP (0.41) KITCREBBPRETUSP30
SCHEMBL30931972 0.87 CREBBP (0.41) KITCREBBPRETJAK2JAK1
SCHEMBL31580378 0.85 CREBBP (0.40) KITCREBBPRETJAK2JAK1
SCHEMBL31590410 0.84 CREBBP (0.40) CREBBPRETUSP30
SCHEMBL30931984 0.84 CREBBP (0.43) CREBBPPRMT5WDR77RETUSP30
SCHEMBL30932039 0.84 RET (0.44) CREBBPRETUSP30
SCHEMBL31589666 0.83 JAK2 (0.41) MAP4K4CREBBPRETJAK2JAK1
SCHEMBL30932027 0.82 RET (0.46) CREBBPRETJAK2USP30

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 1 patent. 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
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