SCHEMBL10694299

SCHEMBL10694299

CN1C(=O)Cc2cc3nc(-c4cccnc4)n(C)c3cc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.54
CYP11B2 P19099 10/20 0.54
CYP19A1 P11511 5/20 0.47
CYP17A1 P05093 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 2/20 0.45
KIT P10721 5/20 0.44
ATM Q13315 1/20 0.42
NAMPT P43490 1/20 0.42
BMPR1B O00238 2/20 0.40
BMPR1A P36894 2/20 0.40
ACVRL1 P37023 2/20 0.40
ACVR1 Q04771 2/20 0.40
TRIM24 O15164 1/20 0.40

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
SCHEMBL10697238 0.95 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL10698573 0.87 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL10695099 0.86 MEN1 (0.48) CYP11B1CYP11B2KITATMBMPR1B
SCHEMBL10699542 0.84 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL10697875 0.83 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL10698954 0.81 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL10691731 0.80 TRIM24 (0.44) BMPR1BBMPR1AACVRL1ACVR1TRIM24
SCHEMBL10701774 0.78 TRIM24 (0.43) CYP11B1CYP11B2CYP1A2TRIM24
SCHEMBL10697210 0.78 CA12 (0.51) CYP19A1TRIM24
SCHEMBL10695333 0.76 ALDH1A1 (0.55) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2

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