SCHEMBL7468958

SCHEMBL7468958

CC(=O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.76
BCR P11274 16/20 0.76
PDGFRB P09619 9/20 0.76
PDGFRA P16234 9/20 0.76
SRC P12931 9/20 0.76
PRKCA P17252 7/20 0.76
PRKCD Q05655 5/20 0.76
PRKD3 O94806 1/20 0.74
PRKCG P05129 1/20 0.74
PRKCB P05771 1/20 0.74
PRKCH P24723 1/20 0.74
PRKCI P41743 1/20 0.74
PRKCE Q02156 1/20 0.74
PRKCQ Q04759 1/20 0.74
PRKCZ Q05513 1/20 0.74
PRKD1 Q15139 1/20 0.74
PLK1 P53350 1/20 0.70
ABL2 P42684 1/20 0.70
EGFR P00533 1/20 0.68
JAK2 O60674 1/20 0.67

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
SCHEMBL4736544 0.92 PLK1 (0.76) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL7475764 0.89 JAK2 (0.71) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL7465651 0.89 ABL1 (0.76) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL7465138 0.88 ABL1 (0.80) ABL1BCRPDGFRBPDGFRASRC
Cyclohexane SCHEMBL5776701 0.86 ABL1 (0.76) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL1522 0.86 ABL1 (1.00) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL4901346 0.86 ABL1 (0.74) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL19556857 0.85 ABL1 (1.00) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL4733852 0.85 PLK1 (0.84) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL1430 0.85 ABL1 (1.00) ABL1BCRPDGFRBPDGFRASRC

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