SCHEMBL7467181

SCHEMBL7467181

c1ccc2c(Nc3nccc(-c4ccncc4)n3)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.54
BCR P11274 3/20 0.54
SRC P12931 1/20 0.54
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
KDM4E B2RXH2 1/20 0.51
PRKCA P17252 3/20 0.49
PIK3CG P48736 2/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
CCR4 P51679 1/20 0.48
EGFR P00533 1/20 0.46
PRKCD Q05655 1/20 0.46
CAMK2D Q13557 2/20 0.45
ULK1 O75385 1/20 0.45

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
SCHEMBL7475168 0.81 CCNB2 (0.55) ABL1BCRSRCSMN1; SMN2KDM4E
SCHEMBL7465982 0.81 FLT3 (0.50) ABL1BCRSMN1; SMN2KDM4EPRKCA
SCHEMBL3756370 0.81 IKBKB (0.53) ABL1PIK3CGPIK3CAPIK3CBMAPK8
SCHEMBL4825274 0.80 BRD4 (0.47) ABL1PRKCAPIK3CGPIK3CAPIK3CB
SCHEMBL16390986 0.79 IKBKB (0.47) KDM4EPIK3CGPIK3CAPIK3CBMAPK8
SCHEMBL4817889 0.79 TRPV1 (0.62) ABL1BCRSRCPRKCA
SCHEMBL7473241 0.79 ABL1 (0.53) ABL1BCRSRCPRKCAPIK3CG
SCHEMBL7462149 0.78 ABL1 (0.49) ABL1BCRSRCPRKCAPIK3CG
SCHEMBL7469488 0.78 CAMKK2 (0.70) ABL1BCRMAPTSMN1; SMN2KDM4E
SCHEMBL27542221 0.78 PLAU (0.58) NPC1MAPTCASP3RAB9ASMN1; SMN2

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-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP claimed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 EP claimed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed