SCHEMBL19035404

SCHEMBL19035404

Cc1[nH]c2c(C(N)O)cc(F)c(NC3CCNCC3)c2c1C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.48
▸ BRD4 O60885 2/20 0.34
▸ ATAD2 Q6PL18 2/20 0.34
▸ EGFR P00533 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31

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
SCHEMBL21260604 0.93 BTK (0.45) BTKBRD4ATAD2
SCHEMBL17699912 0.81 BTK (0.71) BTK
SCHEMBL19035389 0.79 BTK (0.44) BTKBRD4ATAD2EGFR
SCHEMBL28337962 0.76 BTK (0.48) BTKBRD4ATAD2PDE10A
SCHEMBL20863030 0.76 BTK (0.43) BTKEGFRDPP4PDE10A
SCHEMBL29782824 0.75 BTK (0.66) BTK
SCHEMBL17699561 0.75 BTK (0.66) BTK
SCHEMBL17699651 0.75 BTK (0.66) BTK
SCHEMBL28165078 0.70 BTK (0.44) BTKBRD4ATAD2
SCHEMBL23231160 0.70 BTK (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688629-B2 Indole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 — — US disclosed
Send feedback