SCHEMBL10698133

SCHEMBL10698133

CCN1C(=O)Cc2cc3c(cc21)N(C)C(c1ccncc1)N3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
BMPR1B O00238 5/20 0.36
BMPR1A P36894 5/20 0.36
ACVRL1 P37023 5/20 0.36
ACVR1 Q04771 5/20 0.36
TGFBR1 P36897 3/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL10698582 0.87 CYP1A2 (0.41) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL10700180 0.87 BRD4 (0.36) BRD4BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL10695102 0.86 KDM4E (0.38) BRD4BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL10698178 0.84 ALDH1A1 (0.40) BRD4BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL10699134 0.82 ALDH1A1 (0.38) BRD4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10699549 0.80 BMPR1B (0.41) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL10700488 0.79 BMPR1B (0.37) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL10699175 0.78 AURKA (0.38) BRD4ALDH1A1KDM4EHPGDTDP1
SCHEMBL10698933 0.77 KMT2A (0.36) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL10699780 0.74 BMPR1B (0.37) BMPR1BBMPR1AACVRL1ACVR1TGFBR1

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