SCHEMBL11230737

SCHEMBL11230737

CCc1nc(Cl)c(Br)cc1-c1ccnc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.40
MAPK14 Q16539 2/20 0.36
AAK1 Q2M2I8 1/20 0.35
PIK3CA P42336 1/20 0.35
DYRK1A Q13627 3/20 0.35
NFATC1 O95644 1/20 0.35
ROCK2 O75116 1/20 0.34
MAPK1 P28482 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
PIM1 P11309 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
HTT P42858 1/20 0.33
MAPK13 O15264 1/20 0.33
GCGR P47871 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 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
SCHEMBL7273135 0.86 MTOR (0.42) MTORMAPK14AAK1PIK3CADYRK1A
SCHEMBL11234214 0.80 MTOR (0.41) MTORMAPK14PIK3CADYRK1ANFATC1
SCHEMBL11229323 0.80 CYP1A2 (0.46) MTORAAK1
SCHEMBL11396219 0.79 FTO (0.44) MTORCCNCCDK8
SCHEMBL7270939 0.78 MTOR (0.45) MTORMAPK14PIK3CADYRK1ANFATC1
SCHEMBL11236490 0.78 NCOA1 (0.39) MTORCCNCCDK8HTT
SCHEMBL11166411 0.78 PIK3CB (0.47) MTORAAK1CCNCCDK8
SCHEMBL11069334 0.74 MTOR (0.55) MTORMAPK14PIK3CADYRK1ACCNC
SCHEMBL7272778 0.70 DYRK1A (0.45) MTORMAPK14PIK3CADYRK1ANFATC1
SCHEMBL11248447 0.70 SMN1; SMN2 (0.40) MAPK14MAPK1HTTGCGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4351941-A Pyridinyl-pyridines STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4331672-A 5-(Pyridinyl)pyridine-2-hydrazines, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed