SCHEMBL19981564

SCHEMBL19981564

CCc1cccccnc(C(=O)Nc2c(F)ccc(C(=N)/C=C(/Nc3cc(C)n(C)n3)C(N)=O)c2C)s1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL19981932 0.76 CLK1 (0.38) KDM4EMAPT
SCHEMBL19981750 0.76 BTK (0.37) KDM4EMAPT
SCHEMBL12025148 0.76 BTK (0.43) KDM4E
SCHEMBL19981565 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL19981966 0.75 BTK (0.37) KDM4EMAPT
SCHEMBL19981813 0.75 BTK (0.36) KDM4E
SCHEMBL19981978 0.74 BTK (0.32) KDM4E
SCHEMBL19981793 0.74 CLK1 (0.42) MAPT
SCHEMBL19981725 0.69 BTK (0.45)
SCHEMBL26847445 0.59 SMN1; SMN2 (0.56) KDM4EALDH1A1

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