SCHEMBL21170447

SCHEMBL21170447

CC(CNc1ccc(-c2cccc(C(=O)N3CCOCC3)c2)nn1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
MAPK14 Q16539 1/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PARP1 P09874 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LRRK2 Q5S007 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
PLK4 O00444 1/20 0.42
JAK2 O60674 1/20 0.42
MAP4K4 O95819 1/20 0.42
ROS1 P08922 1/20 0.42
FGFR1 P11362 1/20 0.42

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) HPGDMAPTPOLBRAB9ANPC1
SCHEMBL21170451 0.90 MKNK2 (0.48) PARP1TRPV3MAPK1
SCHEMBL21170039 0.86 CRBN (0.44) MAPTPOLBMEN1KMT2AL3MBTL1
SCHEMBL12289914 0.82 HPGD (0.45) HPGDMAPTPOLBPKMMAPK14
SCHEMBL12287723 0.82 DPP4 (0.42) MAPK14RAB9ANPC1PARP1MEN1
SCHEMBL12287289 0.82 DPP4 (0.42) MAPK14RAB9ANPC1PARP1MEN1
SCHEMBL21170038 0.82 DPP4 (0.42) MAPK14RAB9ANPC1PARP1MEN1
SCHEMBL21170185 0.81 TRPM8 (0.41) HPGDMAPTMAPK14RAB9ANPC1
SCHEMBL21170091 0.81 MAP4K4 (0.38) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL21170174 0.78 GPR52 (0.42) MAPK14MAP4K4ABL1BCR

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