SCHEMBL10695099

SCHEMBL10695099

CN1C(=O)Cc2cc3nc(-c4ccncc4)n(C)c3cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TRIM24 O15164 1/20 0.45
ATM Q13315 1/20 0.40
ACVRL1 P37023 6/20 0.38
ACVR1 Q04771 6/20 0.38
BMPR1B O00238 5/20 0.38
BMPR1A P36894 5/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
KIT P10721 2/20 0.38
TGFBR1 P36897 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36
DUSP3 P51452 1/20 0.36

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
SCHEMBL10691731 0.86 TRIM24 (0.44) MEN1KMT2ATRIM24ACVRL1ACVR1
SCHEMBL10694299 0.86 CYP11B1 (0.54) TRIM24ATMACVRL1ACVR1BMPR1B
SCHEMBL10698124 0.86 MEN1 (0.44) MEN1KMT2ATRIM24ATMACVRL1
SCHEMBL10701774 0.84 TRIM24 (0.43) MEN1KMT2ATRIM24CDC25ACDC25B
SCHEMBL10697238 0.81 CYP11B1 (0.54) TRIM24ATMACVRL1ACVR1BMPR1B
SCHEMBL10697210 0.80 CA12 (0.51) MEN1KMT2ATRIM24CA12CA9
SCHEMBL10696205 0.75 CA12 (0.51) MEN1KMT2ATRIM24CA12CA9
SCHEMBL10697017 0.74 ALDH1A1 (0.49) TRIM24PDE3BPDE3AKIT
SCHEMBL10695172 0.74 MEN1 (0.47) MEN1KMT2AATMPDE3BPDE3A
SCHEMBL10695550 0.74 MEN1 (0.47) MEN1KMT2AATMPDE3BPDE3A

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