SCHEMBL20079002

SCHEMBL20079002

CCc1cccc2c(N)nn(C)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
TLR8 Q9NR97 1/20 0.36
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
GSK3B P49841 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
NPEPPS P55786 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
TTK P33981 1/20 0.34
USP2 O75604 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ATM Q13315 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL16006573 0.77 ALKBH5 (0.43) TLR8DDB1CRBNGSK3BMEN1
SCHEMBL15995385 0.75 DDB1 (0.38) DDB1CRBNGSK3BMEN1KMT2A
SCHEMBL9181361 0.75 SCN9A (0.42) DDB1CRBNGSK3B
SCHEMBL17621334 0.74 ENPP1 (0.40) TTKLMNAHTT
SCHEMBL30881908 0.73 PDK2 (0.41) ELANEDDB1CRBNGSK3BMEN1
SCHEMBL22886513 0.72 GSK3B (0.36) DDB1CRBNGSK3BGABRA1GABRB2
SCHEMBL16154737 0.72 GSK3B (0.36) DDB1CRBNGSK3BGABRA1GABRB2
SCHEMBL31330879 0.72 TDP1 (0.47) MEN1KMT2AGAAMAPT
SCHEMBL15886675 0.72 CCR4 (0.39) TLR8KMT2AKEAP1LMNAMAPT
SCHEMBL16158063 0.71 HTT (0.34) MEN1KMT2AGLALMNAHTT

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
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed