SCHEMBL19981963

SCHEMBL19981963

CN1CCN2N=C(Nc3cc(-c4ccc(F)c(NC(=O)c5cc6c(s5)CCCC6)c4CO)nn(C)c3=O)CC2C1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.43

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
SCHEMBL9984295 0.81 BTK (0.54) BTK
SCHEMBL9985163 0.73 BTK (0.52) BTK
SCHEMBL2490369 0.70 BTK (0.66) BTK
SCHEMBL2495522 0.70 BTK (0.66) BTK
SCHEMBL2490998 0.70 BTK (0.66) BTK
SCHEMBL2528678 0.69 BTK (0.69) BTK
SCHEMBL12025683 0.68 BTK (0.76) BTK
SCHEMBL9984057 0.68 BTK (0.36) BTK
SCHEMBL19981806 0.67 BTK (0.55) BTK
SCHEMBL2494310 0.66 BTK (0.52) BTK

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-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed