SCHEMBL27872020

SCHEMBL27872020

Nc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.53
CSNK1A1 P48729 1/20 0.53
ADORA2A P29274 3/20 0.50
ADORA1 P30542 3/20 0.50
RPS6KA5 O75582 1/20 0.50
CDK1 P06493 1/20 0.50
CSF1R P07333 1/20 0.50
PRKACA P17612 1/20 0.50
CDK2 P24941 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
CLK2 P49760 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
DYRK1A Q13627 1/20 0.50
PKN2 Q16513 1/20 0.50
BRSK1 Q8TDC3 1/20 0.50
SLK Q9H2G2 1/20 0.50
SGK2 Q9HBY8 1/20 0.50

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
SCHEMBL65672 0.86 CLK4 (0.50) CLK4CSNK1A1ADORA2AADORA1RPS6KA5
SCHEMBL28961717 0.85 CLK4 (0.52) CLK4CSNK1A1ADORA2AADORA1RPS6KA5
SCHEMBL115757 0.75 MAPK1 (0.52) CLK4CSNK1A1ADORA2AADORA1SMARCA2
SCHEMBL219856 0.74 KDM4E (0.65) CLK4CSNK1A1ADORA2AADORA1SMARCA2
SCHEMBL31132418 0.74 KDM4E (0.65) CLK4CSNK1A1ADORA2AADORA1SMARCA2
SCHEMBL15038351 0.72 CLK4 (0.52) CLK4CSNK1A1ADORA2AADORA1KDR
SCHEMBL30389242 0.72 ALDH1A1 (0.50) CLK4CSNK1A1ADORA2AADORA1KMT2A
SCHEMBL500715 0.72 LMNA (0.56) CLK4CSNK1A1ADORA2AADORA1RPS6KA5
SCHEMBL1226044 0.71 CDK5 (0.59) CLK4CSNK1A1ADORA2AADORA1RPS6KA5
SCHEMBL10205940 0.71 PTGS1 (0.48) CLK4CSNK1A1ADORA2AADORA1RPS6KA5

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
CN-103382180-B One class is containing the preparation method of the organic phosphorescent material part of hole transport function NANJING POST & TELECOMMUNICATION UNIV. (CN) 2015-10-14 CN disclosed
CN-103382180-A Preparation method for organic phosphor material ligand of same category and with hole transfer function UNIV NANJING POSTS & TELECOMM 2013-11-06 CN disclosed
CN-102690235-A Iridium complex containing hole transporting functional group, and electroluminescent device of iridium complex UNIV NANJING POSTS & TELECOMM 2012-09-26 CN disclosed