SCHEMBL31514587

SCHEMBL31514587

Cc1cccc(Nc2ncnc3cc(-c4ccc(N5CCOCC5)nc4)ccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.54
▸ HTT P42858 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ CNR2 P34972 1/20 0.48
▸ DGAT1 O75907 1/20 0.48
▸ MAP4K4 O95819 1/20 0.47
▸ CDK1 P06493 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ SMG1 Q96Q15 1/20 0.46
▸ CD38 P28907 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL31514581 0.90 EGFR (0.54) EGFRAURKBCNR2DGAT1MAP4K4
SCHEMBL31514595 0.89 MAP4K4 (0.51) EGFRHTTAURKBCNR2MAP4K4
SCHEMBL31514575 0.89 CNR2 (0.62) EGFRAURKBCNR2DGAT1MAP4K4
SCHEMBL31514590 0.88 KDR (0.55) EGFRHTTHIF1AAURKBDGAT1
SCHEMBL31514562 0.84 CNR2 (0.47) EGFRHIF1ACNR2MAP4K4CDK2
SCHEMBL31514567 0.84 EGFR (0.49) EGFRHTTAURKBCNR2DGAT1
SCHEMBL31514559 0.83 MAP4K4 (0.51) EGFRHTTHIF1AAURKBCNR2
SCHEMBL31514626 0.83 CNR2 (0.54) EGFRHTTAURKBCNR2DGAT1
SCHEMBL8871984 0.83 EGFR (0.58) EGFRHTTHIF1AMAPK1
SCHEMBL31514605 0.83 SRC (0.53) EGFRHTTAURKBMAP4K4MAPK1

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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