SCHEMBL4730202

SCHEMBL4730202

O=C(Nc1cccnc1)c1cc(-c2cncc3ccccc23)c[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KDR P35968 2/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ CSF1R P07333 1/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ PDGFRB P09619 1/20 0.50
▸ KIT P10721 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ FLT1 P17948 1/20 0.50
▸ FLT4 P35916 1/20 0.50
▸ TEK Q02763 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MCL1 Q07820 2/20 0.46

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
SCHEMBL4727611 0.92 ABL1 (0.51) KDRABL1CSF1RIGF1RPDGFRB
Hydrochloric Acid SCHEMBL4725333 0.91 ABL1 (0.50) NPC1RAB9AKDRABL1CSF1R
SCHEMBL4777946 0.87 DEGS1 (0.47) NPC1RAB9AKDRABL1CSF1R
SCHEMBL4730317 0.86 KDR (0.51) NPC1RAB9AKDRABL1CSF1R
SCHEMBL4726551 0.86 KDR (0.51) NPC1RAB9AKDRABL1CSF1R
SCHEMBL4726122 0.86 KDR (0.46) KDRABL1CSF1RIGF1RPDGFRB
SCHEMBL4726326 0.86 KDR (0.46) KDRABL1CSF1RIGF1RPDGFRB
SCHEMBL4779689 0.86 SERPINE1 (0.49) KDRABL1CSF1RIGF1RPDGFRB
SCHEMBL4725045 0.86 KMT2A (0.48) NPC1RAB9AKDRABL1CSF1R
SCHEMBL4726488 0.84 ABL1 (0.49) NPC1RAB9AKDRABL1CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021725-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — WO claimed
WO-2008021725-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — WO disclosed
WO-2008021725-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — WO disclosed
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