SCHEMBL6157685

SCHEMBL6157685

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.69
FGFR1 P11362 1/20 0.69
KDR P35968 1/20 0.69
TDP1 Q9NUW8 8/20 0.60
MAPT P10636 7/20 0.60
TP53 P04637 6/20 0.60
POLB P06746 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ESR1 P03372 1/20 0.58
CHEK2 O96017 4/20 0.55
NR4A2 P43354 1/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC3 O15379 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
SCHEMBL6157677 0.90 KDR (0.69) PDGFRBFGFR1KDRTDP1MAPT
SCHEMBL6162528 0.86 PDGFRB (0.63) PDGFRBFGFR1KDRTDP1MAPT
SCHEMBL3503147 0.82 KDR (1.00) PDGFRBFGFR1KDRMAPTTP53
SCHEMBL6158996 0.81 KDR (0.74) PDGFRBFGFR1KDRTDP1MAPT
SCHEMBL6159118 0.81 KDR (0.74) PDGFRBFGFR1KDRMAPTTP53
SCHEMBL3169656 0.80 TDP1 (0.60) TDP1MAPTTP53POLBL3MBTL1
SCHEMBL3178116 0.78 CHEK2 (0.78) NPC1RAB9AKMT2ACHEK2NR4A2
SCHEMBL6333156 0.78 KDR (0.70) PDGFRBFGFR1KDRMAPTNPC1
SCHEMBL3162699 0.78 NR4A2 (0.64) TDP1MAPTTP53POLBL3MBTL1
SCHEMBL3171782 0.78 RAB9A (0.65) TDP1MAPTTP53POLBL3MBTL1

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
EP-1226119-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-03-16 EP claimed
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 claimed
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