SCHEMBL30912934

SCHEMBL30912934

O=C(Nc1ccccc1)c1n[nH]c2ccc(Br)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.70
CDK2 P24941 5/20 0.70
CCNA2 P20248 1/20 0.70
CCNA1 P78396 1/20 0.70
IDO1 P14902 2/20 0.62
JAK2 O60674 2/20 0.59
JAK1 P23458 2/20 0.59
CSNK2A1 P68400 5/20 0.58
MAP4K4 O95819 2/20 0.58
MARK3 P27448 2/20 0.58
CLK2 P49760 2/20 0.58
CSNK1G2 P78368 2/20 0.58
MAP4K2 Q12851 2/20 0.58
CAMK2B Q13554 2/20 0.58
CAMK2G Q13555 2/20 0.58
DYRK1A Q13627 2/20 0.58
NTRK3 Q16288 2/20 0.58
MARK2 Q7KZI7 2/20 0.58
MINK1 Q8N4C8 2/20 0.58
BRSK1 Q8TDC3 2/20 0.58

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
SCHEMBL29176619 0.91 FLT3 (0.58) FLT3CDK2CCNA2CCNA1IDO1
SCHEMBL30912958 0.89 IDO1 (0.77) FLT3CDK2CCNA2CCNA1IDO1
SCHEMBL4522712 0.88 PRKAA1 (0.54) FLT3CDK2CCNA2CCNA1IDO1
SCHEMBL14785616 0.86 DYRK1A (0.64) CLK2DYRK1A
SCHEMBL4007094 0.85 FLT3 (0.72) FLT3CDK2CCNA2CCNA1IDO1
SCHEMBL5945795 0.84 FLT3 (0.71) FLT3CDK2CCNA2CCNA1IDO1
SCHEMBL5945798 0.84 FLT3 (0.70) FLT3CDK2CCNA2CCNA1IDO1
SCHEMBL5945808 0.84 FLT3 (0.70) FLT3CDK2CCNA2CCNA1IDO1
SCHEMBL4153422 0.84 FLT3 (0.70) FLT3CDK2CCNA2CCNA1IDO1
SCHEMBL5945718 0.84 FLT3 (0.70) FLT3CDK2CCNA2CCNA1IDO1

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
WO-2024109642-A1 USE OF BENZOAZACYCLIC COMPOUND AS ALLOSTERIC MODULATOR OF β2-ADRENOCEPTOR 常州大学 2024-05-30 WO disclosed