SCHEMBL21170446

SCHEMBL21170446

CC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
PARP1 P09874 3/20 0.42
LDHB P07195 1/20 0.40
DPP4 P27487 1/20 0.39
FYN P06241 2/20 0.39
ADAMTS4 O75173 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ROCK2 O75116 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ROCK1 Q13464 2/20 0.36
LRRK2 Q5S007 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 0.91 DPP4 (0.42) HPGDSPARP1LDHBDPP4FYN
SCHEMBL21170038 0.91 DPP4 (0.42) HPGDSPARP1LDHBDPP4FYN
SCHEMBL12287723 0.91 DPP4 (0.42) HPGDSPARP1LDHBDPP4FYN
SCHEMBL12286690 0.89 LDHB (0.47) PARP1LDHBFYNADAMTS4PIK3CA
SCHEMBL19422102 0.85 FYN (0.40) PARP1LDHBFYNADAMTS4PIK3CA
SCHEMBL19422104 0.85 FYN (0.40) PARP1LDHBFYNADAMTS4PIK3CA
SCHEMBL21170136 0.84 LDHB (0.43) PARP1LDHBFYNMEN1KMT2A
SCHEMBL12287323 0.84 NPC1 (0.40) HPGDSPARP1LDHBDPP4FYN
SCHEMBL21170102 0.83 HPGDS (0.42) HPGDSPARP1LDHBDPP4FYN
SCHEMBL21170083 0.82 FYN (0.42) HPGDSPARP1LDHBFYNADAMTS4

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