SCHEMBL31514564

SCHEMBL31514564

CN1CCN(c2ccc(-c3ccc4c(Nc5cc(F)ccc5F)ncnc4c3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.48
▸ EGFR P00533 5/20 0.43
▸ ALK Q9UM73 3/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ NTRK1 P04629 1/20 0.42
▸ AURKB Q96GD4 7/20 0.42
▸ KIT P10721 2/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ WNT1 P04628 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ MELK Q14680 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
SCHEMBL31514556 0.92 FGFR1 (0.49) TDO2EGFRALKMAP4K4AURKB
SCHEMBL31514594 0.90 AURKB (0.49) TDO2EGFRALKMAP4K4AURKB
SCHEMBL31514608 0.90 DGAT1 (0.50) TDO2EGFRMAP4K4AURKB
SCHEMBL31514592 0.89 TDO2 (0.48) TDO2EGFRMAP4K4NTRK1
SCHEMBL31514621 0.86 EGFR (0.50) TDO2EGFRMAP4K4AURKBKIT
SCHEMBL31514563 0.85 EGFR (0.51) TDO2EGFRMAP4K4AURKBKIT
SCHEMBL31514561 0.84 DGAT1 (0.50) TDO2EGFRMAP4K4AURKBFGFR1
SCHEMBL31514586 0.83 EGFR (0.48) TDO2EGFRMAP4K4AURKBKIT
SCHEMBL31514603 0.83 EGFR (0.47) EGFRMAP4K4AURKBKITFLT3
SCHEMBL31514585 0.81 CD38 (0.48) EGFRALKAURKBKITFLT3

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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