SCHEMBL29176618

SCHEMBL29176618

O=C(Nc1cccc(F)c1)c1n[nH]c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 8/20 0.73
▸ MAP4K1 Q92918 2/20 0.73
▸ CDK2 P24941 3/20 0.72
▸ CCNA2 P20248 1/20 0.72
▸ CCNA1 P78396 1/20 0.72
▸ CSNK2A1 P68400 6/20 0.67
▸ CDK5 Q00535 1/20 0.60
▸ CDK5R1 Q15078 1/20 0.60
▸ IDO1 P14902 1/20 0.58
▸ FADS1 O60427 1/20 0.58
▸ YTHDC1 Q96MU7 1/20 0.56

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
SCHEMBL30695135 1.00 FLT3 (0.73) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL29732692 0.85 FLT3 (0.78) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL951125 0.84 FLT3 (1.00) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL30398090 0.84 FLT3 (1.00) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL29176629 0.84 FLT3 (1.00) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL29176630 0.84 FLT3 (0.73) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL30695136 0.84 FLT3 (0.73) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL953507 0.84 FLT3 (0.73) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL30695138 0.84 FLT3 (1.00) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL30695127 0.84 FLT3 (0.73) FLT3MAP4K1CDK2CCNA2CCNA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024109642-A1 USE OF BENZOAZACYCLIC COMPOUND AS ALLOSTERIC MODULATOR OF β2-ADRENOCEPTOR 常州大学 2024-05-30 — — WO disclosed
CN-117229217-A Allosteric modulator of adrenergic receptor functional activity, preparation method and application thereof 常州大学 2023-12-15 — — CN disclosed
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