SCHEMBL3385496

SCHEMBL3385496

O=C(Cc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1)Nc1cc(C(F)(F)F)ccn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.50
FGFR3 P22607 6/20 0.50
RIOK2 Q9BVS4 1/20 0.50
WNT3A P56704 4/20 0.47
RET P07949 1/20 0.44
NTRK1 P04629 2/20 0.44
GSK3B P49841 1/20 0.43
MAPK14 Q16539 1/20 0.43
CYP2D6 P10635 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
RORC P51449 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
SCHEMBL3385352 0.91 WNT3A (0.49) KDRFGFR3RIOK2WNT3ARET
SCHEMBL3385413 0.89 RORC (0.48) KDRFGFR3RIOK2WNT3ARET
SCHEMBL3385818 0.88 KDR (0.49) KDRFGFR3RIOK2
SCHEMBL3417117 0.88 WNT3A (0.49) KDRFGFR3WNT3ACYP2D6PSEN1
SCHEMBL3381773 0.88 KDR (0.55) KDRFGFR3
SCHEMBL3186484 0.88 KDR (0.49) KDRFGFR3RIOK2
SCHEMBL3383482 0.88 KDR (0.49) KDRFGFR3RIOK2
SCHEMBL3195980 0.87 RET (0.60) KDRFGFR3RETMEN1KMT2A
SCHEMBL3385476 0.86 KDR (0.49) KDRFGFR3RETNTRK1GSK3B
SCHEMBL3382543 0.86 KDR (0.56) KDRFGFR3NTRK1PSEN1PSEN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128461-B Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI 2010-12-22 CN disclosed
EP-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 EP disclosed
CN-101128461-A Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI (US) 2008-02-20 CN disclosed