SCHEMBL31514565

SCHEMBL31514565

Fc1cccc(Nc2ncnc3cc(-c4ccc(N5CCOCC5)nc4)ccc23)c1F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.54
▸ EGFR P00533 12/20 0.54
▸ KCNH2 Q12809 2/20 0.44
▸ TDO2 P48775 1/20 0.43
▸ AURKB Q96GD4 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ HTR2A P28223 1/20 0.42

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
SCHEMBL31514609 0.93 HTR2A (0.50) CNR2EGFRTDO2AURKBMAP4K4
SCHEMBL31514623 0.90 CNR2 (0.52) CNR2EGFRTDO2AURKBMAP4K4
SCHEMBL31514625 0.87 TDO2 (0.48) CNR2EGFRTDO2MAP4K4HTR2A
SCHEMBL31514592 0.87 TDO2 (0.48) CNR2EGFRTDO2MAP4K4HTR2A
SCHEMBL31514581 0.85 EGFR (0.54) CNR2EGFRAURKBMAP4K4
SCHEMBL31514589 0.85 CNR2 (0.54) CNR2EGFRKCNH2AURKBMAP4K4
SCHEMBL31514562 0.85 CNR2 (0.47) CNR2EGFRMAP4K4
SCHEMBL31514585 0.84 CD38 (0.48) CNR2EGFRAURKB
SCHEMBL31514567 0.83 EGFR (0.49) CNR2EGFRTDO2AURKBMAP4K4
SCHEMBL31514606 0.83 CD38 (0.47) CNR2EGFRAURKB

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-119912429-A Quinazoline compound with anti-inflammatory activity or pharmaceutically acceptable salt thereof, pharmaceutical composition and application thereof 安徽医科大学 2025-05-02 — — CN disclosed
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