SCHEMBL23901067

SCHEMBL23901067

O=C(NCCN1CCNCC1)Nc1nc2ccc(-c3cccc4[nH]ccc34)cc2s1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.69
MET P08581 3/20 0.43
CYP3A4 P08684 2/20 0.43
HPGDS O60760 1/20 0.42

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
SCHEMBL23901020 0.92 ABL1 (0.69) ABL1METCYP3A4
SCHEMBL23901009 0.88 ABL1 (0.72) ABL1METCYP3A4
SCHEMBL23901131 0.87 ABL1 (0.67) ABL1METCYP3A4
SCHEMBL23901071 0.86 ABL1 (0.66) ABL1METCYP3A4
SCHEMBL23901018 0.82 ABL1 (0.86) ABL1
SCHEMBL23901014 0.80 ABL1 (0.70) ABL1METCYP3A4
SCHEMBL23901243 0.78 ABL1 (0.64) ABL1METCYP3A4
SCHEMBL23901069 0.78 ABL1 (0.52) ABL1HPGDS
SCHEMBL1651703 0.78 PIK3CG (0.60) ABL1CYP3A4
SCHEMBL23900992 0.77 ABL1 (0.73) ABL1MET

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