SCHEMBL4780880

SCHEMBL4780880

COc1cc2cnc(Nc3ccc(Br)cc3F)nc2cc1OC(C)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.49
KDR P35968 10/20 0.49
FGFR1 P11362 9/20 0.49
FLT1 P17948 9/20 0.49
FLT4 P35916 9/20 0.49
RET P07949 2/20 0.44
KIF5B P33176 2/20 0.44
EPHA2 P29317 2/20 0.42
ALK Q9UM73 7/20 0.40
PDGFRB P09619 2/20 0.40
TEK Q02763 2/20 0.40
BMPR1B O00238 1/20 0.40
PLK4 O00444 1/20 0.40
CIT O14578 1/20 0.40
GAK O14976 1/20 0.40
EPHB6 O15197 1/20 0.40
RIPK2 O43353 1/20 0.40
ROCK2 O75116 1/20 0.40
STK10 O94804 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL3692729 0.90 FGFR1 (0.49) EGFRKDRFGFR1FLT1FLT4
SCHEMBL7797258 0.84 KDR (0.59) EGFRKDRFGFR1FLT1FLT4
SCHEMBL1008026 0.82 KDR (0.72) EGFRKDRFGFR1FLT1FLT4
Water SCHEMBL27735443 0.81 KDR (0.71) EGFRKDRFGFR1FLT1FLT4
Hydrochloric Acid SCHEMBL6454560 0.81 KDR (0.71) EGFRKDRFGFR1FLT1FLT4
SCHEMBL3944307 0.77 KDR (0.44) EGFRKDRFGFR1FLT1FLT4
SCHEMBL6478589 0.76 KDR (0.49) EGFRKDRFGFR1FLT1FLT4
Trifluoroacetic Acid SCHEMBL6902285 0.76 KDR (0.65) EGFRKDRFGFR1FLT1FLT4
SCHEMBL3668398 0.76 EGFR (0.69) EGFRKDRFGFR1FLT1FLT4
SCHEMBL2200924 0.73 KDR (0.74) EGFRKDRFGFR1FLT1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013148638-A2 COMPOSITIONS AND METHODS RELATED TO INHIBITORS OF JAK KINASE EP PHARMA, INC. (US) 2013-10-03 WO disclosed
EP-1922307-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-05-21 EP disclosed
WO-2008009909-A1 PTERIDIMONES AS MODULATORS OF POLO-LIKE KINASE ASTRAZENECA AB (SE) 2008-01-24 WO disclosed
WO-2007044084-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-04-19 WO disclosed