SCHEMBL8313986

SCHEMBL8313986

CCc1nnc2n1-c1ccccc1NC2

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
BRPF1 P55201 1/20 0.41
CYP11B2 P19099 1/20 0.38

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
SCHEMBL8316695 0.88 BRD4 (0.46) BRD4BRPF1
SCHEMBL11396744 0.80 CYP11B2 (0.38) BRD4CYP11B2
SCHEMBL8311751 0.80 BRD4 (0.72) BRD4BRPF1CYP11B2
SCHEMBL14996184 0.78 AVPR1A (0.46) CYP11B2
SCHEMBL14048243 0.72 CYP11B2 (0.31) CYP11B2
SCHEMBL11403505 0.70 BRD4 (0.34) BRD4CYP11B2
SCHEMBL11401281 0.70 CA12 (0.36) BRD4
SCHEMBL11397293 0.69 CYP11B2 (0.38) CYP11B2
SCHEMBL11403511 0.68 GABRA1 (0.39) CYP11B2
SCHEMBL11402978 0.68 CYP11B2 (0.40) CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed