SCHEMBL10697908

SCHEMBL10697908

COCCN1C(=O)Cc2cc3c(c(-c4ccccn4)c21)NCN3

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
BACE1 P56817 3/20 0.33
NOX4 Q9NPH5 1/20 0.32
BRD4 O60885 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
RPTOR Q8N122 1/20 0.32
MLST8 Q9BVC4 1/20 0.32
SYK P43405 1/20 0.31
POLB P06746 2/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAT2A P31153 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL10697625 0.72 BMPR1B (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10699780 0.69 BMPR1B (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10697614 0.69 CBFB (0.47) PKMLMNASMN1; SMN2KDM4EGCK
SCHEMBL10699776 0.68 CA12 (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL578249 0.64 HTR7 (0.54) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30404097 0.64 HTR7 (0.54) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL9831023 0.63 PDK2 (0.38) MAT2A
SCHEMBL10472406 0.62 OPRK1 (0.36) POLBLMNASMN1; SMN2KDM4EHPGD
SCHEMBL10701670 0.60 NPC1 (0.48) BRD4KDM4EHPGDHTTL3MBTL1
SCHEMBL14139369 0.60 KMT2A (0.47) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed