SCHEMBL7470116

SCHEMBL7470116

CC(=O)Nc1cccc(Nc2nccc(-c3ccccn3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.68
PLK1 P53350 1/20 0.61
JAK3 P52333 1/20 0.61
ABL1 P00519 4/20 0.61
BCR P11274 4/20 0.61
PRKCA P17252 3/20 0.61
AURKA O14965 1/20 0.59
AURKB Q96GD4 1/20 0.59
SRC P12931 3/20 0.58
MAP3K5 Q99683 1/20 0.58
SYK P43405 6/20 0.58
PDGFRB P09619 2/20 0.56
PDGFRA P16234 2/20 0.56
PRKCD Q05655 2/20 0.56
KIT P10721 1/20 0.56
FLT3 P36888 1/20 0.56
PRKD3 O94806 1/20 0.56
PRKCG P05129 1/20 0.56
PRKCB P05771 1/20 0.56
PRKCH P24723 1/20 0.56

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
SCHEMBL7461995 0.89 JAK2 (0.73) JAK2PLK1JAK3AURKASYK
SCHEMBL3123402 0.87 ABL1 (0.74) JAK2ABL1BCRPRKCASRC
SCHEMBL4900774 0.86 ABL1 (0.59) JAK2ABL1BCRPRKCASRC
SCHEMBL4899247 0.84 ABL1 (0.73) JAK2ABL1BCRPRKCASRC
SCHEMBL7475764 0.83 JAK2 (0.71) JAK2PLK1JAK3ABL1BCR
SCHEMBL7463871 0.82 ABL1 (0.70) ABL1BCRPRKCAAURKASRC
SCHEMBL4901723 0.82 ABL1 (0.64) JAK2ABL1BCRPRKCAAURKA
SCHEMBL4903283 0.82 ABL1 (0.61) JAK2ABL1BCRPRKCASRC
SCHEMBL4905620 0.82 ABL1 (0.64) JAK2ABL1BCRPRKCASRC
SCHEMBL7468958 0.82 ABL1 (0.76) JAK2PLK1ABL1BCRPRKCA

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