SCHEMBL13815930

SCHEMBL13815930

Nc1nc(-c2cccc(NC(=O)C3CCCCC3)c2)c(-c2ccnc(Nc3cccc(C4CN=CO4)c3)n2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.53
BCR P11274 2/20 0.53
PDGFRB P09619 1/20 0.53
SRC P12931 1/20 0.53
PDGFRA P16234 1/20 0.53
MAPK14 Q16539 1/20 0.39
BRAF P15056 5/20 0.39
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AURKA O14965 3/20 0.38
IGF1R P08069 3/20 0.38
GSK3B P49841 3/20 0.38
ABL2 P42684 2/20 0.38
CCNT1 O60563 1/20 0.38
CCNB2 O95067 1/20 0.38

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
SCHEMBL1641719 0.82 ABL1 (0.59) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL12726485 0.79 ABL1 (0.53) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL13816255 0.79 SYK (0.48) ABL1BRAFAURKAIGF1RGSK3B
SCHEMBL12726495 0.79 ABL1 (0.50) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL12726490 0.77 BRAF (0.52) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL12726496 0.76 ABL1 (0.49) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL12766959 0.75 ABL1 (0.48) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL1365 0.71 ABL1 (1.00) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL12726212 0.69 BRAF (0.58) ABL1BCRPDGFRBSRCPDGFRA
SCHEMBL5781584 0.69 CCNT1 (0.54) ABL1BCRPDGFRBSRCPDGFRA

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
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed