SCHEMBL9207003

SCHEMBL9207003

CC1(C)C(=O)Nc2cc(C(=N)N)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.58
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
PGR P06401 3/20 0.40
ATAD2 Q6PL18 1/20 0.38
PLAU P00749 1/20 0.37
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
F7 P08709 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 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
SCHEMBL20594659 0.87 MAPK14 (0.72) MAPK14PDK2PDK4PGRATAD2
SCHEMBL17275839 0.81 MAPK14 (0.55) MAPK14PDK2PDK4PGRATAD2
SCHEMBL29906734 0.80 MAPK14 (0.57) MAPK14PDK2PDK4PGRATAD2
SCHEMBL4793061 0.79 MAPK14 (0.56) MAPK14PDK2PDK4PGRATAD2
SCHEMBL16323842 0.78 ALDH1A1 (0.60) MAPK14PDK2PDK4PGRKDM4E
SCHEMBL18736026 0.78 MAPK14 (0.49) MAPK14PDK2PDK4PGRATAD2
SCHEMBL29825095 0.76 MAPK14 (0.53) MAPK14PDK2PDK4PGRKDM4E
SCHEMBL16321516 0.76 MAPK14 (0.53) MAPK14PDK2PDK4PGRKDM4E
Hydrochloric Acid SCHEMBL9202414 0.76 RARB (0.54) MAPK14PRSS1PRSS2PRSS3PLAU
SCHEMBL17275732 0.76 MAPK14 (0.50) MAPK14PDK2PDK4PGRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497852-B1 BICYCLO-IMIDAZOLES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1995-12-20 EP disclosed
EP-0497852-A1 BICYCLO-IMIDAZOLES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM. BOEHRINGER MANNHEIM GMBH (DE) 1992-08-12 EP disclosed
WO-1991006545-A1 BICYCLO-IMIDAZOLES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1991-05-16 WO disclosed