SCHEMBL1045276

SCHEMBL1045276

Cc1c[nH]c2cccc(-c3cnc4ccccc4c3)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 4/20 0.61
▸ PDGFRA P16234 4/20 0.61
▸ PIM1 P11309 4/20 0.47
▸ PIM3 Q86V86 4/20 0.47
▸ PARP10 Q53GL7 1/20 0.46
▸ PARP11 Q9NR21 1/20 0.46
▸ PIM2 Q9P1W9 3/20 0.45
▸ MAP4K4 O95819 1/20 0.44
▸ CSNK1G2 P78368 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ MAP4K5 Q9Y4K4 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ BIRC5 O15392 1/20 0.43
▸ BRD4 O60885 2/20 0.42
▸ CREBBP Q92793 2/20 0.42
▸ CYP2A6 P11509 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2692837 0.81 PDGFRA (0.50) PDGFRBPDGFRAPIM1PIM3PARP10
SCHEMBL1042969 0.79 PDGFRA (0.51) PDGFRBPDGFRAPIM1PARP10PARP11
SCHEMBL462907 0.79 PDGFRA (0.51) PDGFRBPDGFRAPIM1PIM3PARP10
SCHEMBL15968103 0.77 CYP1A2 (0.56) PDGFRBPDGFRAPARP10PARP11MAP4K4
SCHEMBL29375329 0.77 CYP1A2 (0.56) PDGFRBPDGFRAPARP10PARP11MAP4K4
SCHEMBL8171583 0.76 PDGFRB (1.00) PDGFRBPDGFRAPIM1PIM3PIM2
SCHEMBL2182815 0.76 PDGFRB (0.60) PDGFRBPDGFRAPIM1PIM3PIM2
SCHEMBL13810900 0.75 HTR2A (0.49) CLK4CYP2A6
SCHEMBL1045337 0.75 PDGFRB (0.56) PDGFRBPDGFRAPIM1PIM3PARP10
SCHEMBL461745 0.74 PDGFRB (0.51) PDGFRBPDGFRAPIM1PIM3PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011004132-A1 NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 — — WO disclosed
Send feedback