SCHEMBL19981627

SCHEMBL19981627

CCc1cnc(C(=O)Nc2cc(-c3cc(Nc4cc5n(n4)CCN(C)C5)c(=O)n(C)n3)ccc2F)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.53
FGR P09769 1/20 0.41
SRC P12931 1/20 0.41
TEC P42680 1/20 0.41
BMX P51813 1/20 0.41
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
HDAC3 O15379 1/20 0.34
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CSF1R P07333 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33

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
SCHEMBL2492191 0.89 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2490980 0.81 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL2488504 0.78 BTK (0.51) BTK
SCHEMBL2493674 0.78 BTK (0.77) BTKFGRSRCTECBMX
SCHEMBL2528193 0.75 BTK (0.69) BTKFGRSRCTECBMX
SCHEMBL2461982 0.74 BTK (0.45) BTKHDAC3NPC1SMN1; SMN2
SCHEMBL19981913 0.73 NTRK1 (0.38) BTK
SCHEMBL9984851 0.73 BTK (0.46) BTKNPC1SMN1; SMN2
SCHEMBL2461847 0.72 BTK (0.72) BTKFGRSRCTECBMX
SCHEMBL9984872 0.71 BTK (0.69) BTKFGRSRCTECBMX

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