SCHEMBL10698573

SCHEMBL10698573

CCN1C(=O)Cc2cc3nc(-c4cccnc4)n(C)c3cc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.50
CYP11B2 P19099 8/20 0.50
CYP1A2 P05177 2/20 0.49
KIT P10721 5/20 0.41
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
NAMPT P43490 1/20 0.40
CYP19A1 P11511 2/20 0.39
CYP17A1 P05093 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
FGFR1 P11362 1/20 0.37

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
SCHEMBL10697875 0.96 CYP11B1 (0.50) CYP11B1CYP11B2CYP1A2KITBMPR1B
SCHEMBL10699542 0.90 CYP11B1 (0.47) CYP11B1CYP11B2CYP1A2KITBMPR1B
SCHEMBL10698124 0.87 MEN1 (0.44) CYP11B1CYP11B2CYP1A2KITBMPR1B
SCHEMBL10694299 0.87 CYP11B1 (0.54) CYP11B1CYP11B2CYP1A2KITBMPR1B
SCHEMBL10698954 0.86 CYP11B1 (0.48) CYP11B1CYP11B2CYP1A2KITBMPR1B
SCHEMBL10697238 0.83 CYP11B1 (0.54) CYP11B1CYP11B2CYP1A2KITBMPR1B
SCHEMBL10700170 0.82 BMPR1B (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10699129 0.80 NPC1 (0.48) CYP19A1MEN1KMT2A
SCHEMBL10699071 0.78 BRD4 (0.50) CYP11B1CYP11B2CYP1A2KITNAMPT
SCHEMBL10698951 0.77 MAPT (0.52) CYP11B1CYP11B2CYP1A2KITBMPR1B

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