SCHEMBL20172215

SCHEMBL20172215

Nc1ccc2c(c1)N(c1ccccc1)c1cccnc1O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CDK8 P49336 5/20 0.35
FGFR1 P11362 1/20 0.35
NPC1 O15118 4/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
STAT1 P42224 1/20 0.34
KMT2A Q03164 1/20 0.34
SHMT2 P34897 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 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
SCHEMBL17489711 0.89 CDK8 (0.41) ADRA2AADRA2BADRA2CCDK8FGFR1
SCHEMBL20172210 0.81 NPC1 (0.35) ADRA2AADRA2BADRA2CFGFR1NPC1
SCHEMBL20307931 0.81 NPC1 (0.45) ADRA2AADRA2BADRA2CFGFR1NPC1
SCHEMBL29214105 0.77 MAPT (0.40) CDK8FGFR1NPC1MAPTKDM4E
SCHEMBL17489708 0.77 ADRA2A (0.36) ADRA2AADRA2BADRA2CCDK8MAPT
SCHEMBL20308245 0.76 CDK8 (0.41) CDK8FGFR1MAPTMEN1KMT2A
SCHEMBL17490203 0.76 PIM1 (0.37) CDK8NPC1MAPTKDM4ERAB9A
SCHEMBL20172216 0.75 ADRA2A (0.37) ADRA2AADRA2BADRA2CMAPTKDM4E
SCHEMBL10043567 0.72 MAPT (0.45) ADRA2AADRA2BADRA2CCDK8FGFR1
SCHEMBL20172204 0.71 SHMT2 (0.37) MAPTKDM4EALDH1A1SHMT2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed