SCHEMBL31514562

SCHEMBL31514562

Cc1ccccc1Nc1ncnc2cc(-c3ccc(N4CCOCC4)nc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.47
▸ CD38 P28907 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CCNK O75909 2/20 0.43
▸ CCND3 P30281 2/20 0.43
▸ CDK9 P50750 2/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ EGFR P00533 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GAK O14976 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42

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
SCHEMBL31514589 0.89 CNR2 (0.54) CNR2CD38MAPK1CLK4MAP4K4
SCHEMBL31514609 0.89 HTR2A (0.50) CNR2CD38MAP4K4EGFRERN1
SCHEMBL31514617 0.88 SRC (0.56) CNR2ALDH1A1TSHRMAPK1CLK4
SCHEMBL31514565 0.85 CNR2 (0.54) CNR2MAP4K4EGFR
SCHEMBL31514595 0.84 MAP4K4 (0.51) CNR2CD38ALDH1A1MAPK1CYP2C19
SCHEMBL31514587 0.84 EGFR (0.54) CNR2CD38MAPK1HIF1ACDK2
SCHEMBL31514625 0.83 TDO2 (0.48) CNR2MAP4K4EGFRGAKERN1
SCHEMBL31514592 0.83 TDO2 (0.48) CNR2MAP4K4EGFRGAKERN1
SCHEMBL31514623 0.82 CNR2 (0.52) CNR2CDK9CDK2MAP4K4EGFR
SCHEMBL31514559 0.80 MAP4K4 (0.51) CNR2CD38ALDH1A1TSHRMAPK1

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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