SCHEMBL9834592

SCHEMBL9834592

CSC1Nc2cc3c(cc2N1)C(C)C(=O)N3

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.39
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
BRPF1 P55201 1/20 0.33
CREBBP Q92793 1/20 0.33
MAPT P10636 1/20 0.30

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
SCHEMBL9835978 0.82 PGR (0.43) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9835010 0.81 PGR (0.44) PGRMAPT
SCHEMBL9834389 0.79 PGR (0.41) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9835070 0.79 PGR (0.41) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9833162 0.79 PGR (0.41) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9836114 0.77 PGR (0.39) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9833820 0.75 PGR (0.38) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9835252 0.74 PGR (0.40) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9832702 0.73 TNKS2 (0.45) PGRBRPF1CREBBPMAPT
SCHEMBL9833830 0.72 ALDH1A1 (0.37) PGRBMPR1BBMPR1ATGFBR1ACVRL1

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-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed