SCHEMBL20144234

SCHEMBL20144234

CCCC(C)CC/C=C/C(=O)N1CC[C@]2(C1)C[C@@H](n1nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc31)C2

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.78
EGFR P00533 2/20 0.53
LCK P06239 1/20 0.53
ITK Q08881 1/20 0.53

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
SCHEMBL20144244 1.00 BTK (0.78) BTKEGFRLCKITK
SCHEMBL20144235 1.00 BTK (0.78) BTKEGFRLCKITK
SCHEMBL20144247 0.91 BTK (0.81) BTKEGFRLCKITK
SCHEMBL20144265 0.90 BTK (0.87) BTKEGFRLCKITK
SCHEMBL20144266 0.90 BTK (0.87) BTKEGFRLCKITK
SCHEMBL16075029 0.88 BTK (1.00) BTKEGFRLCKITK
SCHEMBL16074996 0.88 BTK (1.00) BTKEGFRLCKITK
SCHEMBL20144232 0.84 BTK (0.82) BTK
SCHEMBL20144248 0.84 BTK (0.82) BTK
SCHEMBL16075013 0.83 BTK (1.00) BTKEGFRLCKITK

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