SCHEMBL19981798

SCHEMBL19981798

Cn1nc(N2CCCC(NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc(Nc2ccc(CO)cn2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.46
JAK3 P52333 2/20 0.46
EGFR P00533 1/20 0.45
BTK Q06187 12/20 0.45
SYK P43405 2/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.41
CLK2 P49760 1/20 0.40
SLC6A5 Q9Y345 2/20 0.40

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
SCHEMBL9985180 1.00 LCK (0.46) LCKJAK3EGFRBTKSYK
SCHEMBL9984628 0.85 BTK (0.52) LCKJAK3EGFRBTKSYK
SCHEMBL9984593 0.85 BTK (0.45) LCKJAK3EGFRBTKSYK
SCHEMBL2495865 0.85 JAK3 (0.47) LCKJAK3EGFRBTKSYK
SCHEMBL2490832 0.84 BTK (0.47) LCKJAK3EGFRBTKSYK
SCHEMBL2490830 0.84 BTK (0.47) LCKJAK3EGFRBTKSYK
SCHEMBL9984843 0.81 BTK (0.47) LCKJAK3EGFRBTKSYK
SCHEMBL2492416 0.80 SYK (0.43) LCKJAK3EGFRBTKSYK
SCHEMBL19981782 0.80 SYK (0.43) LCKJAK3EGFRBTKSYK
SCHEMBL9985840 0.79 BTK (0.45) LCKJAK3EGFRBTKSYK

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