SCHEMBL20144254

SCHEMBL20144254

C/C=C/C(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc32)CC1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.80
EGFR P00533 3/20 0.68
ITK Q08881 3/20 0.68
LCK P06239 2/20 0.68
FGR P09769 1/20 0.64
FLT3 P36888 1/20 0.64
CSK P41240 1/20 0.64
BLK P51451 1/20 0.64
JAK3 P52333 1/20 0.64

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
SCHEMBL2157185 0.91 BTK (0.82) BTKEGFRITKLCKFGR
SCHEMBL410037 0.91 BTK (0.82) BTKEGFRITKLCKFGR
SCHEMBL28408977 0.91 BTK (0.84) BTKEGFRITKLCKFGR
SCHEMBL20144255 0.91 BTK (0.91) BTKEGFRITKLCKFGR
SCHEMBL30331082 0.89 BTK (0.78) BTKEGFRITKLCKFGR
SCHEMBL16074995 0.89 BTK (1.00) BTKITKFGRFLT3CSK
SCHEMBL410025 0.86 BTK (0.91) BTKEGFRITKLCKFGR
SCHEMBL2158182 0.86 BTK (0.91) BTKEGFRITKLCKFGR
SCHEMBL24197246 0.86 BTK (0.71) BTKEGFRITKLCKFGR
SCHEMBL20177256 0.86 BTK (1.00) BTKEGFRITKLCKFGR

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
EP-2970300-B1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-05-16 EP disclosed