SCHEMBL31514558

SCHEMBL31514558

Fc1ccccc1Nc1ncnc2cc(-c3ccc(N4CCOCC4)cc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.53
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ AHR P35869 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ EGFR P00533 4/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ RAF1 P04049 1/20 0.46
▸ BRAF P15056 1/20 0.46
▸ CD38 P28907 1/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ PI4KB Q9UBF8 1/20 0.45
▸ PRKDC P78527 2/20 0.45
▸ FGFR2 P21802 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ GAK O14976 1/20 0.43

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
SCHEMBL31514578 0.90 HTR2A (0.48) HTR2AMAPTMAPK1AHRHTT
SCHEMBL31514573 0.90 HTR2A (0.50) HTR2AMAPTMAPK1AHRHTT
SCHEMBL31514566 0.89 HTR2A (0.53) HTR2AFLT1KDREGFRRAF1
SCHEMBL31514614 0.89 FLT1 (0.50) FLT1KDREGFRNTRK1RAF1
SCHEMBL31514609 0.88 HTR2A (0.50) HTR2AFLT1KDREGFRRAF1
SCHEMBL31514628 0.86 HTR2A (0.50) HTR2AFLT1KDREGFRRAF1
SCHEMBL31514565 0.81 CNR2 (0.54) HTR2AEGFRAURKB
SCHEMBL31514632 0.80 KDR (0.56) FLT1KDREGFRRAF1BRAF
SCHEMBL31514585 0.78 CD38 (0.48) FLT1KDREGFRRAF1BRAF
SCHEMBL31514613 0.78 KDR (0.56) FLT1KDREGFRRAF1BRAF

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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