SCHEMBL6865175

SCHEMBL6865175

COc1cc(-c2cn(C3CCOCC3)c3ncnc(N)c23)ccc1N.COc1cc(-c2cn(C3CCOCC3)c3ncnc(N)c23)ccc1NC(=O)OC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
RET P07949 2/20 0.52
KIF5B P33176 2/20 0.52
KCNH2 Q12809 1/20 0.52
CCDC6 Q16204 1/20 0.52
SRC P12931 5/20 0.50
TEK Q02763 3/20 0.50
LCK P06239 3/20 0.50
HCK P08631 1/20 0.50
RIPK2 O43353 4/20 0.49
NEK7 Q8TDX7 3/20 0.49
EIF2AK3 Q9NZJ5 3/20 0.48
ABL1 P00519 3/20 0.47
EGFR P00533 3/20 0.47
ABL2 P42684 3/20 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
SCHEMBL6867037 0.97 SRC (0.53) KDRRETKIF5BKCNH2CCDC6
SCHEMBL6461270 0.93 RET (0.53) KDRRETKIF5BKCNH2CCDC6
SCHEMBL6462768 0.91 RET (0.54) KDRRETKIF5BKCNH2CCDC6
SCHEMBL6465583 0.87 RIPK2 (0.47) KDRRETKIF5BKCNH2CCDC6
SCHEMBL6865257 0.87 SRC (0.63) KDRRETKIF5BKCNH2CCDC6
SCHEMBL6460851 0.87 RIPK2 (0.60) KDRRETKIF5BKCNH2CCDC6
SCHEMBL6460272 0.85 SRC (0.61) KDRRETKIF5BKCNH2CCDC6
SCHEMBL6467947 0.85 RIPK2 (0.53) KDRRETKIF5BKCNH2CCDC6
SCHEMBL6461293 0.84 SRC (0.54) KDRRETKIF5BKCNH2CCDC6
Carbamic Acid SCHEMBL7852916 0.84 SRC (0.60) KDRRETKIF5BKCNH2CCDC6

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-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed