SCHEMBL6162521

SCHEMBL6162521

COC(=O)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.63
PDGFRB P09619 1/20 0.63
FGFR1 P11362 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
PARP1 P09874 1/20 0.47
RHEB Q15382 1/20 0.46
TNKS O95271 1/20 0.46
KIF11 P52732 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 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
SCHEMBL6162528 0.91 PDGFRB (0.63) KDRPDGFRBFGFR1SMN1; SMN2NPC1
SCHEMBL6157677 0.86 KDR (0.69) KDRPDGFRBFGFR1SMN1; SMN2NPC1
SCHEMBL3382675 0.84 KDR (0.63) KDRPDGFRBFGFR1NPC1RAB9A
SCHEMBL22955365 0.81 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1170648 0.81 KDM4E (0.61) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL6159113 0.79 KDR (0.74) KDRPDGFRBFGFR1SMN1; SMN2NPC1
SCHEMBL3222740 0.79 KDM4E (0.71) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2310207 0.79 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL3503147 0.79 KDR (1.00) KDRPDGFRBFGFR1SMN1; SMN2NPC1
SCHEMBL12004613 0.78 RHEB (0.51) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226119-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-03-16 EP disclosed
EP-1226119-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2003-04-09 EP disclosed
US-6479512-B1 TO TREAT TYROSINE KINASE-DEPENDENT DISEASES AND CONDITIONS, SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, ETC. MERCK & CO., INC. 2002-11-12 US disclosed
EP-1226119-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2002-07-31 EP disclosed
WO-2001028993-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2001-04-26 WO disclosed