SCHEMBL19981706

SCHEMBL19981706

Cn1nc(-c2ccc(P)c(NC(=O)c3cc4n(c3)CCCC4)c2)cc(Nc2cc3n(n2)CCNC3)c1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.36
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ADRB2 P07550 1/20 0.30
DRD2 P14416 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1B P35368 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
HTR6 P50406 1/20 0.30
MRGPRX1 Q96LB2 1/20 0.30

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
SCHEMBL2489552 0.92 BTK (0.42) BTKPDCD1CD274
SCHEMBL2491637 0.81 BTK (0.52) BTK
SCHEMBL9984415 0.74 BTK (0.36) BTKHTR2C
SCHEMBL9985472 0.72 BTK (0.67) BTK
SCHEMBL2489490 0.67 BTK (0.47) BTKHTR2C
SCHEMBL19981698 0.64 CDK4 (0.36) BTK
SCHEMBL2488047 0.63 SYK (0.37) BTK
SCHEMBL1392936 0.63 PDCD1 (0.33) BTKPDCD1CD274
SCHEMBL2490980 0.62 BTK (0.51) BTK
SCHEMBL2491166 0.62 BTK (0.61) BTK

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