SCHEMBL28501559

SCHEMBL28501559

Cc1[nH]c2c(C#N)cc(F)c(NC3CCN(C(=O)OCc4ccccc4)C3)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.49
▸ ENPP2 Q13822 5/20 0.42
▸ USP30 Q70CQ3 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ F13A1 P00488 2/20 0.39
▸ TGM2 P21980 2/20 0.39
▸ TGM1 P22735 2/20 0.39
▸ PGR P06401 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSK P43235 1/20 0.39

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
SCHEMBL29782450 1.00 BTK (0.49) BTKENPP2USP30NPC1RAB9A
SCHEMBL17707882 1.00 BTK (0.49) BTKENPP2USP30NPC1RAB9A
SCHEMBL17699685 0.85 BTK (0.58) BTK
SCHEMBL28492343 0.85 BTK (0.58) BTK
SCHEMBL17707884 0.83 BTK (0.53) BTKNPC1RAB9ASMN1; SMN2PGR
SCHEMBL29782615 0.83 BTK (0.53) BTKNPC1RAB9ASMN1; SMN2PGR
SCHEMBL28905210 0.83 BTK (0.53) BTKNPC1RAB9ASMN1; SMN2PGR
SCHEMBL20863093 0.77 BTK (0.54) BTKCTSLCTSBCTSK
SCHEMBL17707905 0.77 BTK (0.54) BTKCTSLCTSBCTSK
SCHEMBL29782655 0.77 BTK (0.54) BTKCTSLCTSBCTSK

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-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2022-07-05 — — CN disclosed
CN-107108583-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2020-11-13 — — CN disclosed
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