SCHEMBL21170091

SCHEMBL21170091

CNC(=O)c1cccc(-c2ccc(NCC(C)c3ccc(F)cc3)nn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
FYN P06241 2/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
CDK8 P49336 1/20 0.36
PDK2 Q15119 1/20 0.36
ADCY8 P40145 1/20 0.36
ADCY1 Q08828 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL12287289 0.89 DPP4 (0.42) TRPM8FYNALDH1A1RAB9AMEN1
SCHEMBL12287723 0.89 DPP4 (0.42) TRPM8FYNALDH1A1RAB9AMEN1
SCHEMBL21170038 0.89 DPP4 (0.42) TRPM8FYNALDH1A1RAB9AMEN1
SCHEMBL21170174 0.88 GPR52 (0.42) MAP4K4FYNABL1BCRRIPK1
SCHEMBL21170185 0.88 TRPM8 (0.41) MAPTTP53THRBTRPM8ALDH1A1
SCHEMBL21170152 0.88 RIPK1 (0.41) ALDH1A1RIPK1
SCHEMBL21170310 0.87 ADORA1 (0.41) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL21170046 0.86 RIPK1 (0.40) ABL1BCRRIPK1
SCHEMBL21170326 0.83 TRPV3 (0.49) MAPTTP53ALDH1A1RAB9AMEN1
SCHEMBL21170090 0.82 NPY5R (0.39) TRPM8FYNALDH1A1RAB9AMEN1

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-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 EP disclosed