SCHEMBL6885605

SCHEMBL6885605

COc1cc(-c2cn(C3CCCC3)c3ncnc(N)c23)ccc1NC(=O)OCc1ccccc1.COc1ccc(-c2cn(C3CCCC3)c3ncnc(N)c23)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.58
LCK P06239 7/20 0.58
TEK Q02763 6/20 0.58
KDR P35968 6/20 0.58
LIMK1 P53667 2/20 0.58
LIMK2 P53671 1/20 0.58
IGF1R P08069 5/20 0.56
EGFR P00533 9/20 0.53
ABL1 P00519 7/20 0.53
ABL2 P42684 7/20 0.53
ERBB2 P04626 1/20 0.52
ERBB3 P21860 1/20 0.52
ERBB4 Q15303 1/20 0.52
LYN P07948 3/20 0.51
INSR P06213 2/20 0.51
CSF1R P07333 2/20 0.51
RET P07949 2/20 0.51
FGFR1 P11362 2/20 0.51
FLT3 P36888 2/20 0.51
BLK P51451 2/20 0.51

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
SCHEMBL2071754 0.98 IGF1R (0.59) SRCLCKTEKKDRLIMK1
SCHEMBL2074490 0.97 SRC (0.61) SRCLCKTEKKDRLIMK1
SCHEMBL6461905 0.91 LCK (0.59) SRCLCKTEKKDRLIMK1
SCHEMBL6461790 0.91 SRC (0.59) SRCLCKTEKKDRLIMK1
SCHEMBL2071878 0.89 SRC (0.53) SRCLCKTEKKDRLIMK1
SCHEMBL2072511 0.89 IGF1R (0.59) SRCLCKTEKKDRLIMK1
SCHEMBL2074582 0.89 IGF1R (0.60) SRCLCKTEKKDRLIMK1
Hydrochloric Acid SCHEMBL2071991 0.89 SRC (0.52) SRCLCKTEKKDRLIMK1
SCHEMBL6883793 0.88 LCK (0.76) SRCLCKTEKKDRLIMK1
SCHEMBL2074654 0.87 IGF1R (0.60) 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
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed