SCHEMBL14214743

SCHEMBL14214743

COc1cc(Nc2ncnc(-c3cccnc3NCc3ccccc3OC(F)(F)F)n2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.65
KDR P35968 2/20 0.50
FGFR3 P22607 6/20 0.49
FGFR2 P21802 5/20 0.49
IGF1R P08069 3/20 0.46
ULK1 O75385 1/20 0.44
PTK2 Q05397 3/20 0.44
RPS6KA2 Q15349 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
TSHR P16473 3/20 0.42
CYP2C19 P33261 3/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL14214742 0.85 TEK (0.68) TEKKDRFGFR3FGFR2IGF1R
SCHEMBL6480089 0.78 TEK (0.69) TEKKDRFGFR3FGFR2IGF1R
SCHEMBL14214551 0.76 TEK (0.78) TEKKDRFGFR3FGFR2IGF1R
SCHEMBL14214552 0.76 TEK (0.81) TEKKDRFGFR3FGFR2
SCHEMBL6480986 0.76 TEK (0.74) TEKKDRFGFR3FGFR2IGF1R
SCHEMBL14214554 0.76 TEK (0.74) TEKKDRFGFR3FGFR2IGF1R
SCHEMBL14214739 0.75 TEK (0.82) TEKKDRFGFR3FGFR2IGF1R
SCHEMBL6479711 0.75 TEK (0.73) TEKKDRFGFR3FGFR2IGF1R
SCHEMBL14214736 0.74 TEK (0.75) TEKKDRFGFR3FGFR2IGF1R
SCHEMBL6481339 0.74 TEK (0.72) TEKKDRFGFR3FGFR2IGF1R

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-1218360-B1 TRIAZINE KINASE INHIBITORS AMGEN INC (US) 2008-05-28 EP disclosed