SCHEMBL7683792

SCHEMBL7683792

COc1ccc(-c2ccc3c(c2)ncn3-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 1.00
FGFR1 P11362 12/20 0.79
HTT P42858 3/20 0.66
ALDH1A1 P00352 3/20 0.66
HPGD P15428 2/20 0.66
MAPK1 P28482 1/20 0.66
MAPK10 P53779 1/20 0.66
NCOA1 Q15788 1/20 0.66
NCOA3 Q9Y6Q9 1/20 0.66
MAPT P10636 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
SRC P12931 2/20 0.59
LMNA P02545 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL8006768 0.88 FGFR1 (1.00) KDRFGFR1HTTALDH1A1HPGD
Hydrochloric Acid SCHEMBL7989899 0.87 FGFR1 (0.97) KDRFGFR1HTTALDH1A1HPGD
SCHEMBL12135624 0.87 KDR (0.76) KDRFGFR1HTTALDH1A1SRC
SCHEMBL2644889 0.86 FGFR1 (0.80) KDRFGFR1HTTALDH1A1HPGD
SCHEMBL18609552 0.85 KDR (0.74) KDRFGFR1HTTALDH1A1HPGD
SCHEMBL769342 0.83 KDR (0.70) KDRFGFR1HTTALDH1A1HPGD
SCHEMBL1408358 0.82 KDR (0.69) KDRFGFR1HTTALDH1A1HPGD
SCHEMBL19781279 0.81 KDR (0.68) KDRFGFR1HTTALDH1A1HPGD
SCHEMBL7677283 0.81 KDR (0.68) KDRFGFR1HTTALDH1A1HPGD
SCHEMBL7676755 0.81 GAK (0.73) KDRFGFR1HTTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109555-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP claimed
EP-1109555-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-06-27 EP claimed
US-6162804-A Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2000-12-19 US claimed
EP-1017682-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2000-11-08 EP claimed
EP-1017682-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2000-07-12 EP claimed
WO-2000012089-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-03-09 WO claimed
WO-1999016755-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 1999-04-08 WO claimed
US-6465484-B1 TYROSINE KINASE INHIBITORS; CANCER, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, AUTOIMMUNE DISEASES, INFLAMMATORY DISEASES MERCK & CO., INC. 2002-10-15 US disclosed
EP-1109555-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1109555-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-06-27 EP disclosed
US-6162804-A Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2000-12-19 US disclosed
EP-1017682-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2000-11-08 EP disclosed
EP-1017682-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2000-07-12 EP disclosed
WO-2000012089-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-03-09 WO disclosed
WO-1999016755-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 1999-04-08 WO disclosed