SCHEMBL19981928

SCHEMBL19981928

Cc1ccc(-c2cc(Nc3cc(C4CC4)[nH]n3)c(=O)[nH]n2)cc1NC(=O)c1ccc(C(C)(C)COCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.41
CCNA2 P20248 14/20 0.41
CCNA1 P78396 14/20 0.41
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
BTK Q06187 3/20 0.38

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
SCHEMBL9984448 0.92 BTK (0.42) CDK2CCNA2CCNA1BTK
SCHEMBL9984813 0.83 BTK (0.45) CDK2CCNA2CCNA1BTK
SCHEMBL2494331 0.79 BTK (0.48) CDK2CCNA2CCNA1BTK
SCHEMBL12045185 0.78 CCNA2 (0.48) CDK2CCNA2CCNA1BTK
SCHEMBL2489481 0.77 BTK (0.44) CDK2CCNA2CCNA1BTK
SCHEMBL2464012 0.69 BTK (0.52) CDK2CCNA2CCNA1BTK
SCHEMBL2493704 0.67 BTK (0.51) MAPK14SMOBTK
SCHEMBL2492220 0.67 BTK (0.65) BTK
SCHEMBL9984917 0.66 BTK (0.43) CDK2CCNA2CCNA1BTK
SCHEMBL2492576 0.66 BTK (0.67) CDK2CCNA2CCNA1BTK

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