SCHEMBL21170353

SCHEMBL21170353

CN/N=C(\N)c1cccc(-c2ccc(NCC(C)(C)c3ncccc3F)nn2)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 7/20 0.32
CDC7 O00311 1/20 0.32
DAPK3 O43293 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32
FLT3 P36888 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK8 P49336 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3B P49841 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
PRKX P51817 1/20 0.32
JAK3 P52333 1/20 0.32
CDK5 Q00535 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
SCHEMBL12286826 0.87 PDE4A (0.38) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL21170329 0.87 IL1B (0.34) IL1BCDC7DAPK3ROCK2PRKD3
SCHEMBL12287966 0.78 GP6 (0.39) ALDH1A1MAPT
SCHEMBL21170249 0.77 IL1B (0.33) IL1BCDC7DAPK3ROCK2PRKD3
SCHEMBL2564397 0.77 PDE4A (0.38) IL1B
SCHEMBL21170422 0.76 IL1B (0.35) IL1BMAP4K4NPC1RAB9ASMN1; SMN2
SCHEMBL12288240 0.76 MAPK8 (0.40) CDK2CDK8CDK7CDK9MAPT
SCHEMBL12287936 0.76 FYN (0.36) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL14734700 0.75 TRPV1 (0.34) IL1BCDC7DAPK3ROCK2PRKD3
SCHEMBL12289970 0.75 HPGDS (0.42) CDK8CDK7CDK9MAPT

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