SCHEMBL3398398

SCHEMBL3398398

COc1cc2c(Nc3ccc(C(F)(F)F)cc3)nnnc2cc1OCCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.64
EGFR P00533 12/20 0.59
KDR P35968 8/20 0.59
BRAF P15056 3/20 0.59
LCK P06239 2/20 0.59
RET P07949 2/20 0.59
MET P08581 2/20 0.59
MAPT P10636 2/20 0.59
LTK P29376 2/20 0.59
TNK2 Q07912 2/20 0.59
MAP4K5 Q9Y4K4 2/20 0.59
EPHB4 P54760 2/20 0.59
CIT O14578 1/20 0.59
GAK O14976 1/20 0.59
EPHB6 O15197 1/20 0.59
ABCC4 O15439 1/20 0.59
DAPK3 O43293 1/20 0.59
RIPK2 O43353 1/20 0.59
NR1I2 O75469 1/20 0.59
RPS6KA4 O75676 1/20 0.59

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
Hydrochloric Acid SCHEMBL2163578 0.99 SRC (0.63) SRCEGFRKDRBRAFLCK
Hydrochloric Acid SCHEMBL2163832 0.91 EGFR (0.57) SRCEGFRKDRRETEPHB4
Hydrochloric Acid SCHEMBL2163725 0.90 SRC (0.62) SRCEGFRKDRBRAFLCK
Hydrochloric Acid SCHEMBL2163561 0.89 SRC (0.66) SRCEGFRKDRBRAFLCK
Hydrochloric Acid SCHEMBL2165383 0.88 EGFR (0.63) SRCEGFRKDRBRAFLCK
Hydrochloric Acid SCHEMBL2163075 0.85 SRC (0.59) SRCEGFRKDRBRAFLCK
SCHEMBL2163611 0.85 EGFR (0.81) SRCEGFRKDRBRAFLCK
Hydrochloric Acid SCHEMBL2164655 0.84 EGFR (0.79) SRCEGFRKDRBRAFLCK
Hydrochloric Acid SCHEMBL2163789 0.84 EGFR (0.63) SRCEGFRKDRBRAFLCK
Hydrochloric Acid SCHEMBL2164558 0.84 SRC (0.67) SRCEGFRKDRBRAFLCK

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
EP-2251332-A1 THE AROMATIC RING TRIAZINE DERIVATIVES AND THE USES THEREOF Shenyang Pharmaceutical University (CN) 2010-11-17 EP claimed