SCHEMBL19981918

SCHEMBL19981918

Cc1ccc(C(=N)/C=C(/Nc2ccc(N3CCC(F)(F)C3)cn2)C(N)=O)c(F)c1NC(=O)C1Cc2ccccc2S1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.34
SYK P43405 2/20 0.31
HDAC4 P56524 1/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL19981920 0.76 BTK (0.39) EP300SYK
SCHEMBL13363457 0.73 BTK (0.37) EP300
SCHEMBL24932139 0.62 EP300 (0.45) EP300SYKHDAC4
SCHEMBL21285960 0.59 EP300 (0.54) EP300
SCHEMBL29039129 0.57 EP300 (0.41) EP300SYKHDAC4
SCHEMBL13408175 0.55 DEGS1 (0.51) EP300
SCHEMBL13359259 0.55 PPARG (0.42)
SCHEMBL13408173 0.55 DEGS1 (0.43)
SCHEMBL7982049 0.54 ALDH1A1 (0.39) HDAC4
SCHEMBL15562919 0.54 ALDH1A1 (0.39) HDAC4

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