SCHEMBL7142801

SCHEMBL7142801

COc1cc(-c2nn(CC3(O)CCN(C(=O)O)CC3)c3ncnc(N)c23)ccc1NC(=O)C1CC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.51
LCK P06239 10/20 0.51
TEK Q02763 7/20 0.51
ABL1 P00519 9/20 0.49
PTK6 Q13882 8/20 0.48
FYN P06241 3/20 0.47
YES1 P07947 2/20 0.47
LYN P07948 2/20 0.47
HCK P08631 2/20 0.47
FGR P09769 2/20 0.47
BLK P51451 2/20 0.47
KDR P35968 4/20 0.46
LIMK1 P53667 1/20 0.46
LIMK2 P53671 1/20 0.46
KIT P10721 1/20 0.45
FRK P42685 1/20 0.45
PIK3CD O00329 1/20 0.44
EGFR P00533 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL5802027 0.92 SRC (0.54) SRCLCKTEKABL1PTK6
SCHEMBL6431442 0.91 SRC (0.49) SRCLCKTEKABL1PTK6
Hydrochloric Acid SCHEMBL6431443 0.91 SRC (0.49) SRCLCKTEKABL1PTK6
SCHEMBL7133248 0.86 SRC (0.63) SRCLCKTEKABL1PTK6
SCHEMBL7138358 0.83 ABL1 (0.52) SRCLCKABL1PTK6FYN
SCHEMBL4824130 0.82 LCK (0.59) SRCLCKTEKABL1FYN
SCHEMBL4824137 0.82 LCK (0.59) SRCLCKTEKABL1FYN
Acetic Acid SCHEMBL6433582 0.81 LCK (0.58) SRCLCKTEKABL1FYN
Acetic Acid SCHEMBL4822823 0.80 LCK (0.57) SRCLCKTEKABL1FYN
SCHEMBL4821450 0.80 LCK (0.57) SRCLCKTEKABL1FYN

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