SCHEMBL10374145

SCHEMBL10374145

COc1cc(O)ccc1-c1nc2cc3c(cc2[nH]1)NC(=O)C3(C)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.39
CCNA2 P20248 6/20 0.39
CCND1 P24385 6/20 0.39
CDK2 P24941 6/20 0.39
CCND3 P30281 6/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CHEK1 O14757 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
KDR P35968 1/20 0.38
JAK3 P52333 1/20 0.38
PDE5A O76074 1/20 0.38
AMY1A P0DUB6 8/20 0.38
LCK P06239 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
SCHEMBL10375362 0.88 AMY1A (0.37) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10374060 0.88 PDE3B (0.51) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10374178 0.85 PDE2A (0.36) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10375940 0.85 CYP17A1 (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10373843 0.83 CDK4 (0.39) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10373852 0.80 CHEK2 (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10372876 0.77 PDE4A (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10373617 0.77 CHEK2 (0.37) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10375300 0.77 CHEK2 (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10375942 0.77 AMY1A (0.40) PDE3BPDE3APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186010-B1 PYRROLO BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1990-01-31 EP disclosed
US-4810801-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1989-03-07 US disclosed
US-4710510-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-12-01 US disclosed
EP-0186010-A1 Pyrrolo benzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1986-07-02 EP disclosed