SCHEMBL3420161

SCHEMBL3420161

Cc1cc(NCC2CCOCC2)c2[nH]c(C3=NC(CCN4CCNC(=O)C4)CS3)cc2c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
VCP P55072 1/20 0.30
RIPK2 O43353 1/20 0.30

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
SCHEMBL3034662 1.00 BRD4 (0.31) BRD4ATAD2VCPRIPK2
SCHEMBL3013473 0.88 CSF1R (0.34) RIPK2
SCHEMBL3013470 0.88 CSF1R (0.34) RIPK2
SCHEMBL1277766 0.87 KDM4E (0.35) VCP
SCHEMBL1277768 0.87 KDM4E (0.35) VCP
SCHEMBL3416977 0.85 RIPK2 (0.31) RIPK2
SCHEMBL27800838 0.85
SCHEMBL3418468 0.85 SYK (0.33) VCP
SCHEMBL3034664 0.84 ALDH1A1 (0.30)
SCHEMBL3432946 0.84 POLB (0.32) RIPK2

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-2230238-A2 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG Life Sciences Ltd. (KR) 2010-09-22 EP claimed