SCHEMBL21170329

SCHEMBL21170329

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 11/20 0.34
CDC7 O00311 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
FLT3 P36888 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3B P49841 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
PRKX P51817 1/20 0.33
JAK3 P52333 1/20 0.33
CDK5 Q00535 1/20 0.33

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 0.90 PDE4A (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21170422 0.88 IL1B (0.35) IL1BMAP4K4NPC1RAB9ASMN1; SMN2
SCHEMBL21170353 0.87 IL1B (0.32) IL1BCDC7DAPK3ROCK2PRKD3
SCHEMBL21170125 0.87 IL1B (0.35) IL1BFLT3NPC1RAB9ASMN1; SMN2
SCHEMBL21170210 0.86 NPC1 (0.36) IL1BNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21170249 0.86 IL1B (0.33) IL1BCDC7DAPK3ROCK2PRKD3
SCHEMBL21170296 0.82 IL1B (0.36) IL1BNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12287966 0.81 GP6 (0.39) ALDH1A1MAPT
SCHEMBL21170417 0.81 IL1B (0.36) IL1BCDC7ROCK2PIM1PRKACA
SCHEMBL2564397 0.80 PDE4A (0.38) IL1BNLRP3

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