SCHEMBL31514609

SCHEMBL31514609

Fc1ccccc1Nc1ncnc2cc(-c3ccc(N4CCOCC4)nc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.50
▸ CNR2 P34972 4/20 0.48
▸ AURKB Q96GD4 1/20 0.46
▸ CD38 P28907 1/20 0.46
▸ DGAT1 O75907 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ EGFR P00533 4/20 0.45
▸ TDO2 P48775 1/20 0.44
▸ RAF1 P04049 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ERN1 O75460 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL31514565 0.93 CNR2 (0.54) HTR2ACNR2AURKBEGFRTDO2
SCHEMBL31514585 0.91 CD38 (0.48) CNR2AURKBCD38FLT1KDR
SCHEMBL31514625 0.90 TDO2 (0.48) HTR2ACNR2FLT1KDREGFR
SCHEMBL31514592 0.90 TDO2 (0.48) HTR2ACNR2EGFRTDO2MAP4K4
SCHEMBL31514606 0.90 CD38 (0.47) CNR2AURKBCD38FLT1KDR
SCHEMBL31514623 0.89 CNR2 (0.52) CNR2AURKBEGFRTDO2RAF1
SCHEMBL31514589 0.89 CNR2 (0.54) CNR2AURKBCD38DGAT1EGFR
SCHEMBL31514594 0.89 AURKB (0.49) AURKBCD38DGAT1FLT1KDR
SCHEMBL31514562 0.89 CNR2 (0.47) CNR2CD38EGFRMAP4K4ERN1
SCHEMBL31514558 0.88 HTR2A (0.53) HTR2AAURKBCD38DGAT1FLT1

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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