SCHEMBL7133248

SCHEMBL7133248

COc1cc(-c2nn(CC3(O)CCN(C(=O)O)CC3)c3ncnc(N)c23)ccc1NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.63
LCK P06239 11/20 0.63
TEK Q02763 7/20 0.63
KDR P35968 4/20 0.63
LIMK1 P53667 1/20 0.63
LIMK2 P53671 1/20 0.63
ABL1 P00519 9/20 0.53
PTK6 Q13882 8/20 0.52
FYN P06241 3/20 0.51
KIT P10721 1/20 0.49
FRK P42685 1/20 0.49
PIK3CD O00329 1/20 0.48
EGFR P00533 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
BACE1 P56817 1/20 0.48
PRKDC P78527 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
YES1 P07947 2/20 0.47
LYN P07948 2/20 0.47

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
SCHEMBL5801455 0.92 SRC (0.59) SRCLCKTEKKDRLIMK1
SCHEMBL5821267 0.90 SRC (0.58) SRCLCKTEKKDRLIMK1
SCHEMBL7142801 0.86 SRC (0.51) SRCLCKTEKKDRLIMK1
SCHEMBL7138358 0.84 ABL1 (0.52) SRCLCKKDRABL1PTK6
SCHEMBL5802027 0.79 SRC (0.54) SRCLCKTEKKDRABL1
SCHEMBL6692919 0.78 SRC (0.45) SRCLCKTEKKDRLIMK1
SCHEMBL5805157 0.77 LCK (1.00) SRCLCKTEKKDRLIMK1
SCHEMBL6645184 0.77 LCK (1.00) SRCLCKTEKKDRLIMK1
SCHEMBL6431442 0.77 SRC (0.49) SRCLCKTEKKDRLIMK1
Hydrochloric Acid SCHEMBL6431443 0.76 SRC (0.49) SRCLCKTEKKDRLIMK1

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-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed