SCHEMBL7136268

SCHEMBL7136268

CC(=O)OC(=O)Nc1ccccc1CNc1ccc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.63
LCK P06239 17/20 0.63
TEK Q02763 17/20 0.63
KDR P35968 7/20 0.63
LIMK1 P53667 2/20 0.61
LIMK2 P53671 1/20 0.61
BTK Q06187 2/20 0.59
EGFR P00533 3/20 0.55
ERBB2 P04626 3/20 0.55
IGF1R P08069 3/20 0.55
ERBB4 Q15303 3/20 0.55
ERBB3 P21860 2/20 0.55
PLK4 O00444 1/20 0.55
AURKA O14965 1/20 0.55
MAPK13 O15264 1/20 0.55
ROCK2 O75116 1/20 0.55
RPS6KA5 O75582 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
PAK4 O96013 1/20 0.55

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
SCHEMBL6430194 0.93 SRC (0.67) SRCLCKTEKKDRLIMK1
SCHEMBL6430198 0.93 SRC (0.67) SRCLCKTEKKDRLIMK1
Acetic Acid SCHEMBL7136266 0.91 SRC (0.67) SRCLCKTEKKDRLIMK1
Acetic Acid SCHEMBL6434801 0.91 SRC (0.61) SRCLCKTEKKDRLIMK1
Acetic Acid SCHEMBL6434796 0.91 SRC (0.61) SRCLCKTEKKDRLIMK1
Acetic Acid SCHEMBL6462699 0.86 SRC (0.68) SRCLCKTEKKDRLIMK1
Acetic Acid SCHEMBL6462695 0.86 SRC (0.68) SRCLCKTEKKDRLIMK1
Acetic Acid SCHEMBL6437911 0.86 SRC (0.68) SRCLCKTEKKDRLIMK1
Acetic Acid SCHEMBL6437910 0.86 SRC (0.68) SRCLCKTEKKDRLIMK1
SCHEMBL6430239 0.86 SRC (0.74) 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