SCHEMBL20144263

SCHEMBL20144263

CC#CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc32)CC1

nearest known ligand 0.91

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.91
ITK Q08881 4/20 0.69
EGFR P00533 4/20 0.69
LCK P06239 3/20 0.69
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
NUDT14 O95848 1/20 0.59
NUDT5 Q9UKK9 1/20 0.59

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
SCHEMBL20177225 0.95 BTK (1.00) BTKITKEGFRLCKFGR
SCHEMBL20177303 0.95 BTK (1.00) BTKITKEGFRLCKFGR
SCHEMBL21330605 0.95 BTK (1.00) BTKITKEGFRLCKFGR
SCHEMBL21330631 0.91 BTK (0.91) BTKITKEGFRLCKFGR
SCHEMBL21330635 0.91 BTK (0.91) BTKITKEGFRLCKFGR
SCHEMBL30331082 0.89 BTK (0.78) BTKITKEGFRLCKFGR
SCHEMBL16074992 0.89 BTK (1.00) BTKITKEGFRLCKFGR
SCHEMBL18211765 0.86 BTK (0.91) BTKITKEGFRLCKFGR
SCHEMBL18211764 0.86 BTK (0.91) BTKITKEGFRLCKFGR
SCHEMBL18211763 0.86 BTK (0.91) BTKITKEGFRLCKFGR

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