SCHEMBL23901010

SCHEMBL23901010

NC(=O)Nc1nc2ccc(-c3cccc4cc[nH]c34)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.48
PIK3CG P48736 1/20 0.46
KIT P10721 3/20 0.46
PDGFRA P16234 3/20 0.46
PIK3CA P42336 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43

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
SCHEMBL23901069 0.84 ABL1 (0.52) ABL1PIK3CGKITPDGFRAPIK3CA
SCHEMBL23901072 0.80 ABL1 (0.56) ABL1PIK3CGPIK3CA
SCHEMBL23901133 0.80 ABL1 (0.56) ABL1PIK3CGPIK3CA
SCHEMBL23901009 0.77 ABL1 (0.72) ABL1
SCHEMBL23901014 0.77 ABL1 (0.70) ABL1
SCHEMBL23901132 0.76 ABL1 (0.74) ABL1PIK3CGPIK3CA
SCHEMBL1651703 0.73 PIK3CG (0.60) ABL1PIK3CGPIK3CA
SCHEMBL1619855 0.71 PIK3CG (0.60) ABL1PIK3CGPIK3CA
SCHEMBL27586269 0.70 HSD17B10 (0.64) ABL1PIK3CGPIK3CAHSD17B1
SCHEMBL27717411 0.70 DYRK1A (0.73) HSD17B1HSD17B2

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-2021201576-A1 BENZOTHIAZOLE DERIVATIVE COMPOUND 주식회사 이노큐어테라퓨틱스 2021-10-07 WO disclosed