SCHEMBL20144258

SCHEMBL20144258

CC#CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc32)CC1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.79
EGFR P00533 4/20 0.68
LCK P06239 3/20 0.68
ITK Q08881 3/20 0.68
NUDT14 O95848 1/20 0.58
NUDT5 Q9UKK9 1/20 0.58

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
SCHEMBL16074972 0.88 BTK (1.00) BTKEGFRLCKITK
SCHEMBL16074993 0.87 BTK (1.00) BTKEGFRLCKITK
SCHEMBL16074980 0.87 BTK (1.00) BTKEGFRLCKITK
SCHEMBL20144257 0.86 BTK (0.79) BTKEGFRLCKITKNUDT14
SCHEMBL20144243 0.86 BTK (0.64) BTKEGFRLCKITKNUDT14
SCHEMBL18211764 0.85 BTK (0.91) BTKEGFRLCKITKNUDT14
SCHEMBL18211765 0.85 BTK (0.91) BTKEGFRLCKITKNUDT14
SCHEMBL20144259 0.85 BTK (0.83) BTKEGFRLCKITKNUDT14
SCHEMBL18211763 0.85 BTK (0.91) BTKEGFRLCKITKNUDT14
SCHEMBL20144263 0.85 BTK (0.91) BTKEGFRLCKITKNUDT14

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