SCHEMBL31514592

SCHEMBL31514592

Fc1ccc(F)c(Nc2ncnc3cc(-c4ccc(N5CCOCC5)nc4)ccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.48
▸ CNR2 P34972 4/20 0.47
▸ EGFR P00533 4/20 0.44
▸ MAP4K4 O95819 1/20 0.43
▸ NTRK1 P04629 1/20 0.42
▸ ERN1 O75460 1/20 0.42
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ AOC3 Q16853 2/20 0.40
▸ GAK O14976 1/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40

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
SCHEMBL31514625 0.92 TDO2 (0.48) TDO2CNR2EGFRMAP4K4NTRK1
SCHEMBL31514609 0.90 HTR2A (0.50) TDO2CNR2EGFRMAP4K4ERN1
SCHEMBL31514564 0.89 TDO2 (0.48) TDO2EGFRMAP4K4NTRK1
SCHEMBL31514559 0.88 MAP4K4 (0.51) TDO2CNR2EGFRMAP4K4HTR2A
SCHEMBL31514565 0.87 CNR2 (0.54) TDO2CNR2EGFRMAP4K4HTR2A
SCHEMBL31514567 0.86 EGFR (0.49) TDO2CNR2EGFRMAP4K4KCNQ3
SCHEMBL31514623 0.85 CNR2 (0.52) TDO2CNR2EGFRMAP4K4ERN1
SCHEMBL31514581 0.85 EGFR (0.54) CNR2EGFRMAP4K4
SCHEMBL31514589 0.83 CNR2 (0.54) CNR2EGFRMAP4K4ERN1
SCHEMBL31514562 0.83 CNR2 (0.47) CNR2EGFRMAP4K4ERN1GAK

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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