SCHEMBL21170451

SCHEMBL21170451

CC(CNc1ccc(-c2cccc(C(=O)N3CCNCC3)c2)nn1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 3/20 0.48
MKNK1 Q9BUB5 1/20 0.42
NTRK1 P04629 1/20 0.41
TRPV3 Q8NET8 3/20 0.40
ATR Q13535 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PARP1 P09874 1/20 0.38
CBLB Q13191 1/20 0.38
MAPK1 P28482 1/20 0.38
BDKRB1 P46663 1/20 0.38
MTOR P42345 1/20 0.38
CHRM3 P20309 1/20 0.38
MAP3K11 Q16584 1/20 0.38

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
SCHEMBL21170326 0.91 TRPV3 (0.49) TRPV3PARP1MAPK1
SCHEMBL21170447 0.90 HPGD (0.45) TRPV3PARP1MAPK1
SCHEMBL21170039 0.86 CRBN (0.44) TRPV3MAPK1
SCHEMBL2565340 0.82 MKNK2 (0.48) MKNK2MKNK1NTRK1ATRCCNC
SCHEMBL12287289 0.82 DPP4 (0.42) PARP1
SCHEMBL12287723 0.82 DPP4 (0.42) PARP1
SCHEMBL21170038 0.82 DPP4 (0.42) PARP1
SCHEMBL21170185 0.81 TRPM8 (0.41) MAPK1
SCHEMBL21170091 0.81 MAP4K4 (0.38) CDK8
SCHEMBL21170174 0.78 GPR52 (0.42)

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