SCHEMBL7138358

SCHEMBL7138358

COc1cc(-c2nn(CC3(O)CCN(C(=O)O)CC3)c3ncnc(N)c23)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.52
SRC P12931 15/20 0.52
HCK P08631 13/20 0.52
PIK3CD O00329 10/20 0.52
EGFR P00533 10/20 0.52
KDR P35968 10/20 0.52
PIK3CA P42336 10/20 0.52
PIK3CB P42338 10/20 0.52
MTOR P42345 10/20 0.52
PIK3CG P48736 10/20 0.52
EPHB4 P54760 10/20 0.52
PRKDC P78527 10/20 0.52
PI4KB Q9UBF8 8/20 0.52
FGFR1 P11362 2/20 0.51
FGFR2 P21802 2/20 0.51
FGFR3 P22607 2/20 0.51
FGFR4 P22455 1/20 0.46
PTK6 Q13882 6/20 0.46
FYN P06241 3/20 0.45
LCK P06239 2/20 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
SCHEMBL5823902 0.90 ABL1 (0.54) ABL1SRCHCKPIK3CDEGFR
SCHEMBL7133248 0.84 SRC (0.63) ABL1SRCHCKPIK3CDEGFR
SCHEMBL7142801 0.83 SRC (0.51) ABL1SRCHCKPIK3CDEGFR
SCHEMBL27604491 0.79 SRC (0.76) ABL1SRCHCKPIK3CDEGFR
SCHEMBL5823904 0.77 CFTR (0.45) ABL1SRCHCKPIK3CDEGFR
SCHEMBL5801455 0.76 SRC (0.59) ABL1SRCHCKPIK3CDEGFR
SCHEMBL7167170 0.76 JAK2 (0.42) SRCPIK3CDEGFRKDRFYN
SCHEMBL5802027 0.76 SRC (0.54) ABL1SRCHCKPIK3CDEGFR
SCHEMBL6431442 0.75 SRC (0.49) ABL1SRCHCKPIK3CDEGFR
Hydrochloric Acid SCHEMBL6431443 0.74 SRC (0.49) ABL1SRCHCKPIK3CDEGFR

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
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed