SCHEMBL2883089

SCHEMBL2883089

O=C(NCCN1CCCC1)Nc1ccc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cc1.O=C(c1ccncc1)N1CCN(c2ccc(Nc3nc4ccc(-c5cc(O)ccc5Cl)cn4n3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.44
TTK P33981 2/20 0.43
SRC P12931 6/20 0.40
JAK1 P23458 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
PDGFRB P09619 3/20 0.39
YES1 P07947 2/20 0.39
KDR P35968 2/20 0.39
EPHB4 P54760 1/20 0.39
DRD2 P14416 1/20 0.38
NAMPT P43490 2/20 0.38
CNR1 P21554 1/20 0.38
BRAF P15056 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL615235 0.89 ABL1 (0.51) ABL1SRCPDGFRBYES1KDR
SCHEMBL612493 0.89 TTK (0.53) ABL1TTKSRCJAK1JAK2
SCHEMBL614249 0.76 JAK3 (0.46) ABL1TTKSRCJAK1JAK2
SCHEMBL613380 0.74 DRD2 (0.44) ABL1SRCPDGFRBYES1KDR
SCHEMBL41292 0.74 LRRK2 (0.49) ABL1TTKSRCJAK2JAK3
SCHEMBL612970 0.73 SRC (0.62) ABL1SRCJAK2JAK3PTK2
SCHEMBL614439 0.70 TTK (0.42) ABL1TTKSRCJAK2JAK3
SCHEMBL41896 0.70 SRC (0.48) ABL1SRCJAK2JAK3PTK2
SCHEMBL40869 0.70 SRC (0.52) ABL1SRCJAK2JAK3PTK2
SCHEMBL42448 0.70 SRC (0.48) ABL1TTKSRCJAK2JAK3

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
EP-2396324-A1 Ý1, 2, 4¨TRIAZOLO Ý1, 5 -A¨PYRIDINES AS KINASE INHIBITORS Fovea Pharmaceuticals (FR) 2011-12-21 EP disclosed
WO-2010092041-A1 [1, 2, 4] TRIAZOLO [1, 5 -A] PYRIDINES AS KINASE INHIBITORS FOVEA PHARMACEUTICALS SA (FR) 2010-08-19 WO disclosed