SCHEMBL28165155

SCHEMBL28165155

Cc1[nH]c2c(NC=O)ccc(NC3CCNCC3)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.46
▸ BRD4 O60885 4/20 0.41
▸ ATAD2 Q6PL18 4/20 0.41
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CDC42BPB Q9Y5S2 1/20 0.33
▸ EGFR P00533 1/20 0.32

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
SCHEMBL28335791 0.93 BRD4 (0.43) BTKBRD4ATAD2
SCHEMBL28164541 0.93 BRD4 (0.43) BTKBRD4ATAD2
SCHEMBL28165044 0.93 BRD4 (0.43) BTKBRD4ATAD2
SCHEMBL28337962 0.80 BTK (0.48) BTKBRD4ATAD2
SCHEMBL28335872 0.78 BTK (0.37) BTKBRD4ATAD2
SCHEMBL17699525 0.78 BTK (0.69) BTK
SCHEMBL29782505 0.78 BTK (0.69) BTK
SCHEMBL28165101 0.77 BTK (0.40) BTK
SCHEMBL19035389 0.76 BTK (0.44) BTKBRD4ATAD2EGFR
SCHEMBL28165078 0.74 BTK (0.44) BTKBRD4ATAD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511209-A It can be used as the indole carboxamides compound of kinase inhibitor BRISTOL MYERS SQUIBB CO 2019-11-29 — — CN disclosed
CN-107108583-A Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2017-08-29 — — CN disclosed
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