SCHEMBL9835978

SCHEMBL9835978

CC1Nc2cc3c(cc2N1)C(C)C(=O)N3

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.43
BRPF1 P55201 1/20 0.36
CREBBP Q92793 1/20 0.36
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
POLB P06746 2/20 0.31
TP53 P04637 1/20 0.31
AR P10275 1/20 0.31
TSHR P16473 1/20 0.30
PARP1 P09874 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
SCHEMBL9834389 0.85 PGR (0.41) PGRBRPF1CREBBPBMPR1BBMPR1A
SCHEMBL9833162 0.85 PGR (0.41) PGRBRPF1CREBBPBMPR1BBMPR1A
SCHEMBL9835070 0.85 PGR (0.41) PGRBRPF1CREBBPBMPR1BBMPR1A
SCHEMBL9836114 0.82 PGR (0.39) PGRBRPF1CREBBPBMPR1BBMPR1A
SCHEMBL9834592 0.82 PGR (0.39) PGRBRPF1CREBBPBMPR1BBMPR1A
SCHEMBL9833820 0.81 PGR (0.38) PGRBRPF1CREBBPBMPR1BBMPR1A
SCHEMBL9835252 0.80 PGR (0.40) PGRBRPF1CREBBPBMPR1BBMPR1A
SCHEMBL9835029 0.79 MAOB (0.39) BRPF1CREBBPBMPR1BBMPR1ATGFBR1
SCHEMBL9832702 0.79 TNKS2 (0.45) PGRBRPF1CREBBP
SCHEMBL9832558 0.78 NQO2 (0.32) BRPF1CREBBPPOLB

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