SCHEMBL30695133

SCHEMBL30695133

O=C(Nc1cc(Br)cc(Br)c1)c1n[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 9/20 0.72
▸ CDK2 P24941 3/20 0.72
▸ CCNA2 P20248 1/20 0.72
▸ CCNA1 P78396 1/20 0.72
▸ MAP4K1 Q92918 2/20 0.64
▸ EPHB3 P54753 1/20 0.61
▸ CSNK2A1 P68400 6/20 0.60
▸ YTHDC1 Q96MU7 1/20 0.58
▸ IDO1 P14902 1/20 0.57

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
SCHEMBL29176611 1.00 FLT3 (0.72) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL30695136 0.89 FLT3 (0.73) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL29176630 0.89 FLT3 (0.73) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL4509961 0.87 FLT3 (0.78) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL951125 0.84 FLT3 (1.00) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL30398090 0.84 FLT3 (1.00) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL30026349 0.80 FLT3 (0.81) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL29365548 0.80 FLT3 (0.81) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL30912934 0.80 FLT3 (0.70) FLT3CDK2CCNA2CCNA1MAP4K1
SCHEMBL30912958 0.80 IDO1 (0.77) FLT3CDK2CCNA2CCNA1MAP4K1

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-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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