SCHEMBL6162528

SCHEMBL6162528

COC(=O)c1ccc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.63
FGFR1 P11362 1/20 0.63
KDR P35968 1/20 0.63
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 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
SMN1; SMN2 Q16637 1/20 0.55
BRD4 O60885 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51

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
SCHEMBL6162521 0.91 KDR (0.63) PDGFRBFGFR1KDRNPC1RAB9A
SCHEMBL6157685 0.86 PDGFRB (0.69) PDGFRBFGFR1KDRNPC1RAB9A
SCHEMBL12834035 0.83 KDM4E (0.73) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL14091475 0.82 KDM4E (0.55) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL22955685 0.81 HDAC6 (0.54) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL14091584 0.80 KDM4E (0.55) FGFR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL2617479 0.79 KDM4E (0.71) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL6159118 0.79 KDR (0.74) PDGFRBFGFR1KDRNPC1RAB9A
SCHEMBL14090368 0.79 F2 (0.69) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL3503147 0.79 KDR (1.00) PDGFRBFGFR1KDRNPC1RAB9A

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 2 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
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