SCHEMBL31514559

SCHEMBL31514559

Fc1ccc(Nc2ncnc3cc(-c4ccc(N5CCOCC5)nc4)ccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.51
▸ TDO2 P48775 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ AHR P35869 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ HTR2A P28223 2/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HIF1A Q16665 1/20 0.47

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) MAP4K4CNR2AURKBKITFLT3
SCHEMBL31514567 0.90 EGFR (0.49) MAP4K4TDO2MAPTHTTMAPK1
SCHEMBL31514595 0.90 MAP4K4 (0.51) MAP4K4MAPTHTTMAPK1AHR
SCHEMBL31514626 0.90 CNR2 (0.54) MAP4K4MAPTHTTMAPK1AHR
SCHEMBL31514625 0.88 TDO2 (0.48) MAP4K4TDO2HTR2ACNR2EGFR
SCHEMBL31514592 0.88 TDO2 (0.48) MAP4K4TDO2HTR2ACNR2EGFR
SCHEMBL31514605 0.87 SRC (0.53) MAP4K4MAPTHTTMAPK1AHR
SCHEMBL31514623 0.85 CNR2 (0.52) MAP4K4TDO2CNR2AURKBKIT
SCHEMBL31514609 0.84 HTR2A (0.50) MAP4K4TDO2HTR2ACNR2AURKB
SCHEMBL31514575 0.83 CNR2 (0.62) MAP4K4CNR2AURKBDGAT1EGFR

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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