SCHEMBL21170083

SCHEMBL21170083

CC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.42
LDHB P07195 1/20 0.40
MAPK8 P45983 2/20 0.40
PIK3CA P42336 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
MAP3K5 Q99683 2/20 0.39
TTK P33981 1/20 0.39
PRKCI P41743 1/20 0.38
MAP2K4 P45985 1/20 0.38
KDM1A O60341 1/20 0.38
ADAMTS4 O75173 1/20 0.38
PIM1 P11309 1/20 0.37
CCNT1 O60563 1/20 0.37
CCND1 P24385 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37

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
SCHEMBL12286690 0.86 LDHB (0.47) FYNLDHBMAPK8PIK3CAMAPK9
SCHEMBL19422104 0.84 FYN (0.40) FYNLDHBMAPK8PIK3CAMAPK9
SCHEMBL19422102 0.84 FYN (0.40) FYNLDHBMAPK8PIK3CAMAPK9
SCHEMBL21170136 0.83 LDHB (0.43) FYNLDHBMAPK8PIK3CAMAPK9
SCHEMBL21170038 0.83 DPP4 (0.42) FYNLDHBMAPK8PIK3CAMAPK9
SCHEMBL12287723 0.83 DPP4 (0.42) FYNLDHBMAPK8PIK3CAMAPK9
SCHEMBL12287289 0.83 DPP4 (0.42) FYNLDHBMAPK8PIK3CAMAPK9
SCHEMBL21170446 0.82 HPGDS (0.44) FYNLDHBMAPK8PIK3CAMAPK9
SCHEMBL12287323 0.82 NPC1 (0.40) FYNLDHBMAPK8PIK3CAMAPK9
SCHEMBL21170102 0.82 HPGDS (0.42) FYNLDHBMAPK8PIK3CAMAPK9

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