SCHEMBL4730929

SCHEMBL4730929

Cn1nc2cc(Br)ccc2c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
NEK2 P51955 1/20 0.41
LIMK1 P53667 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PDGFRA P16234 1/20 0.40
TYRO3 Q06418 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
KDM4C Q9H3R0 2/20 0.37

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
SCHEMBL22789994 0.83 L3MBTL1 (0.44) L3MBTL1HTTRXFP1MEN1KMT2A
SCHEMBL9910899 0.77 CHEK1 (0.70) CDK5CHEK1AURKACSNK1A1CDK8
SCHEMBL2133297 0.77 KDM4C (0.45) ALDH1A1KDM4C
SCHEMBL4728474 0.77 PDK1 (0.46) CDK5CHEK1AURKACSNK1A1CDK8
SCHEMBL1563562 0.76 KDM5A (0.48) CDK5CHEK1AURKACSNK1A1CDK8
SCHEMBL2842932 0.76 MAPT (0.48) L3MBTL1ALDH1A1HTTMEN1KMT2A
Methane SCHEMBL27733031 0.75 KDM5A (0.47) CDK5CHEK1AURKACSNK1A1CDK8
SCHEMBL2144329 0.74 PDGFRA (0.44) CDK5PDGFRATYRO3ALDH1A1HTT
SCHEMBL2721702 0.74 CHEK1 (0.54) CDK5CHEK1AURKACSNK1A1CDK8
SCHEMBL22506702 0.73 PDK1 (0.42) CDK5CHEK1AURKACSNK1A1CDK8

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-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO disclosed