SCHEMBL7510320

SCHEMBL7510320

Clc1cccc(-c2cncc(-c3c[nH]c4ccccc34)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.61
ALOX5 P09917 1/20 0.51
IMPDH2 P12268 2/20 0.50
ELANE P08246 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
TDO2 P48775 8/20 0.47
ASH1L Q9NR48 1/20 0.46
BCL2 P10415 1/20 0.46
PLCG1 P19174 1/20 0.45
JAK2 O60674 1/20 0.45
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
PRKCB P05771 1/20 0.44

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
SCHEMBL7508124 0.89 PIM1 (0.49) KDRALOX5ELANETDO2PLCG1
SCHEMBL7509779 0.89 DYRK1A (0.50) KDRALOX5IMPDH2ELANETDO2
SCHEMBL7507592 0.86 ALOX5 (0.64) KDRALOX5IMPDH2ELANEMAPK1
SCHEMBL7502639 0.86 KDR (0.70) KDRIMPDH2MAPK1HSD17B10PDGFRB
SCHEMBL6586643 0.85 ASH1L (0.59) ALOX5IMPDH2ELANEMAPK1HSD17B10
SCHEMBL30695578 0.85 ASH1L (0.59) ALOX5IMPDH2ELANEMAPK1HSD17B10
SCHEMBL25034154 0.85 KDR (0.73) KDRALOX5IMPDH2MAPK1HSD17B10
SCHEMBL7515888 0.83 KDR (0.41) KDRPLCG1PIM1PIM3PIM2
SCHEMBL7508798 0.82 JAK2 (0.52) KDRALOX5IMPDH2ELANETDO2
SCHEMBL7508704 0.82 IMPDH2 (0.55) KDRALOX5IMPDH2ELANETDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP claimed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP claimed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO claimed
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed