SCHEMBL19981670

SCHEMBL19981670

C/N=C(\Nc1cc(-c2cc(Nc3cc(C4CC4)[nH]n3)c(=O)[nH]n2)ccc1F)c1cnc(C(C)(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.44
SYK P43405 2/20 0.34
IGF1R P08069 4/20 0.33
CDK7 P50613 2/20 0.33
CDK13 Q14004 2/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
NTRK1 P04629 1/20 0.32

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
SCHEMBL2464012 0.90 BTK (0.52) BTKSYKIGF1RCDK7CDK13
SCHEMBL9984917 0.77 BTK (0.43) BTKSYKIGF1RCDK13NTRK1
SCHEMBL2494331 0.76 BTK (0.48) BTK
SCHEMBL12045185 0.76 CCNA2 (0.48) BTK
SCHEMBL9984813 0.75 BTK (0.45) BTK
SCHEMBL2461976 0.74 BTK (0.50) BTK
SCHEMBL2489481 0.74 BTK (0.44) BTKCDK7CCNHMNAT1
SCHEMBL2463710 0.74 BTK (0.51) BTK
SCHEMBL2492576 0.74 BTK (0.67) BTKIGF1R
SCHEMBL2490547 0.73 BTK (0.57) BTKSYK

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