SCHEMBL6669730

SCHEMBL6669730

COc1cc(-c2nn(C3CCNCC3)c3ccnc(N)c23)ccc1NCc1ccc(C)o1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.49
LCK P06239 6/20 0.49
TEK Q02763 4/20 0.49
ABL1 P00519 10/20 0.43
EGFR P00533 9/20 0.43
PIK3CD O00329 8/20 0.43
HCK P08631 8/20 0.43
KDR P35968 8/20 0.43
PIK3CA P42336 8/20 0.43
PIK3CB P42338 8/20 0.43
MTOR P42345 8/20 0.43
PIK3CG P48736 8/20 0.43
EPHB4 P54760 8/20 0.43
PRKDC P78527 8/20 0.43
PI4KB Q9UBF8 8/20 0.43
FGFR1 P11362 1/20 0.38
KIT P10721 1/20 0.38
FRK P42685 1/20 0.38
PTK6 Q13882 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
SCHEMBL5804660 0.88 SRC (0.61) SRCLCKTEKABL1EGFR
SCHEMBL5823810 0.86 SRC (0.49) SRCLCKTEKABL1EGFR
SCHEMBL6431132 0.77 LCK (0.79) SRCLCKTEKEGFRKDR
SCHEMBL6431127 0.77 LCK (0.79) SRCLCKTEKEGFRKDR
SCHEMBL5815012 0.76 LCK (0.74) SRCLCKTEKKDR
SCHEMBL5823957 0.76 LCK (0.56) SRCLCKTEKABL1EGFR
SCHEMBL4827342 0.75 SRC (0.60) SRCLCKTEKABL1EGFR
SCHEMBL5817995 0.75 LCK (0.64) SRCLCKTEKABL1EGFR
SCHEMBL6245151 0.75 EGFR (0.44) SRCLCKTEKABL1EGFR
SCHEMBL6431131 0.75 SRC (0.58) SRCLCKTEKABL1EGFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed