SCHEMBL23901133

SCHEMBL23901133

NC(=O)Nc1nc2ccc(-c3ccc4cc[nH]c4c3)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.56
PIK3CG P48736 4/20 0.50
PIK3CA P42336 4/20 0.49
CYP3A4 P08684 1/20 0.48
S1PR1 P21453 1/20 0.46
ITK Q08881 1/20 0.46
DYRK1A Q13627 1/20 0.45

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
SCHEMBL23901072 0.91 ABL1 (0.56) ABL1PIK3CGPIK3CACYP3A4DYRK1A
SCHEMBL23901069 0.81 ABL1 (0.52) ABL1PIK3CGPIK3CAS1PR1
SCHEMBL23901010 0.80 ABL1 (0.48) ABL1PIK3CGPIK3CA
SCHEMBL1650369 0.79 PIK3CG (0.66) ABL1PIK3CGPIK3CACYP3A4DYRK1A
SCHEMBL23901131 0.76 ABL1 (0.67) ABL1PIK3CGPIK3CACYP3A4
SCHEMBL22208320 0.76 ABL1 (0.76) ABL1S1PR1
SCHEMBL27586269 0.74 HSD17B10 (0.64) ABL1PIK3CGPIK3CACYP3A4ITK
SCHEMBL27717411 0.74 DYRK1A (0.73) CYP3A4DYRK1A
SCHEMBL6641942 0.72 DYRK1A (0.74) DYRK1A
SCHEMBL13486495 0.72 DYRK1A (0.76) DYRK1A

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