SCHEMBL30546751

SCHEMBL30546751

CC(=O)Nc1cc(C(=O)Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ccc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB2 P29323 2/20 0.77
NR2E1 Q9Y466 3/20 0.72
LDLR P01130 3/20 0.68
KIT P10721 3/20 0.68
PCSK9 Q8NBP7 3/20 0.68
RAF1 P04049 2/20 0.68
HCK P08631 2/20 0.67
NR2C2 P49116 1/20 0.67
BTK Q06187 1/20 0.67
ABL1 P00519 8/20 0.67
PDGFRB P09619 2/20 0.67
BCR P11274 5/20 0.65
ADORA3 P0DMS8 2/20 0.65
NR1I2 O75469 1/20 0.65
PTGS1 P23219 1/20 0.65
KDR P35968 1/20 0.65
CHRNA4 P43681 1/20 0.65
PDE3A Q14432 1/20 0.65
OPRK1 P41145 2/20 0.65
MEN1 O00255 1/20 0.65

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
SCHEMBL28382296 1.00 EPHB2 (0.77) EPHB2NR2E1LDLRKITPCSK9
SCHEMBL22065195 0.91 EPHB2 (0.75) EPHB2NR2E1LDLRKITPCSK9
SCHEMBL30546654 0.91 EPHB2 (0.74) EPHB2NR2E1LDLRKITPCSK9
SCHEMBL16867179 0.91 EPHB2 (0.74) EPHB2NR2E1LDLRKITPCSK9
SCHEMBL22024521 0.90 EPHB2 (0.73) EPHB2NR2E1LDLRKITPCSK9
SCHEMBL13659898 0.89 NR2E1 (0.77) EPHB2NR2E1LDLRKITPCSK9
SCHEMBL20038839 0.89 EPHB2 (0.72) EPHB2NR2E1LDLRKITPCSK9
SCHEMBL22024989 0.89 EPHB2 (0.72) EPHB2NR2E1LDLRKITPCSK9
SCHEMBL23265017 0.88 EPHB2 (0.71) EPHB2NR2E1LDLRKITPCSK9
SCHEMBL20502614 0.88 ABL1 (0.81) EPHB2NR2E1LDLRKITPCSK9

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
CN-111039932-B High-yield synthesis method of radatinib 安徽峆一药业股份有限公司 2023-09-12 CN disclosed
CN-110872279-B High-yield synthesis method of nilotinib 安徽峆一药业股份有限公司 2023-09-08 CN disclosed