SCHEMBL19981698

SCHEMBL19981698

Cn1nc(-c2ccc(P)c(NC(=O)c3cc4c(s3)=CCCC=4)c2)cc(Nc2ccc(N3CCNCC3=O)cn2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.36
CDK6 Q00534 1/20 0.36
BTK Q06187 4/20 0.34
HDAC2 Q92769 8/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC3 O15379 5/20 0.33
KCNH2 Q12809 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C18 P33260 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2461586 0.81 BTK (0.51) CDK4CDK6BTKHDAC2HDAC1
SCHEMBL2493454 0.72 BTK (0.53) CDK4CDK6BTK
SCHEMBL19981710 0.72 BTK (0.36) CDK4CDK6BTK
SCHEMBL2493665 0.71 BTK (0.60) CDK4CDK6BTKHDAC2HDAC1
SCHEMBL2462693 0.68 BTK (0.47) CDK4CDK6BTKHDAC2HDAC3
SCHEMBL19981660 0.66 BTK (0.51) CDK4BTK
SCHEMBL19981771 0.65 BTK (0.50) BTK
SCHEMBL19981864 0.64 BTK (0.49) BTK
SCHEMBL19981684 0.64 BTK (0.51) BTK
SCHEMBL1393056 0.64 CDK4 (0.43) CDK4CDK6BTK

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