SCHEMBL6432769

SCHEMBL6432769

COc1cc(-c2nn(C3CCN(CC(=O)c4ccc[nH]4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.76
FYN P06241 2/20 0.72
BTK Q06187 1/20 0.54
SRC P12931 7/20 0.54
TEK Q02763 6/20 0.54
KDR P35968 1/20 0.50

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
SCHEMBL6465467 0.91 LCK (0.82) LCKFYNBTKSRCTEK
SCHEMBL4828202 0.90 LCK (0.85) LCKFYNBTKSRCTEK
SCHEMBL4820398 0.90 LCK (0.84) LCKFYNBTKSRCTEK
SCHEMBL6430928 0.88 LCK (0.86) LCKFYNBTKSRCTEK
SCHEMBL4826601 0.87 LCK (0.82) LCKFYNBTKSRCTEK
SCHEMBL4821401 0.87 LCK (0.86) LCKFYNBTKSRCTEK
SCHEMBL6433364 0.87 LCK (0.84) LCKFYNBTKSRCTEK
SCHEMBL6430960 0.87 LCK (0.80) LCKFYNBTKSRCTEK
SCHEMBL6430474 0.87 LCK (1.00) LCKFYNBTKSRCTEK
SCHEMBL6431078 0.86 LCK (0.83) LCKFYNBTKSRCTEK

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
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed