SCHEMBL1045337

SCHEMBL1045337

Cc1cc2c(-c3cnc4ccccc4c3)cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.56
▸ PDGFRA P16234 3/20 0.56
▸ TOP2A P11388 1/20 0.45
▸ TOP2B Q02880 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ PARP11 Q9NR21 1/20 0.44
▸ BIRC5 O15392 1/20 0.43
▸ PIM1 P11309 5/20 0.43
▸ PIM3 Q86V86 4/20 0.43
▸ PIM2 Q9P1W9 3/20 0.43
▸ BRD4 O60885 2/20 0.43
▸ CREBBP Q92793 2/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ CSNK1G2 P78368 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ MAP4K5 Q9Y4K4 1/20 0.42
▸ BMPR1B O00238 1/20 0.41
▸ PIK3C2G O75747 1/20 0.41

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
SCHEMBL2182815 0.80 PDGFRB (0.60) PDGFRBPDGFRATOP2ATOP2BCYP1A2
SCHEMBL27833818 0.80 PDGFRB (0.60) PDGFRBPDGFRATOP2ATOP2BBIRC5
SCHEMBL1394258 0.78 METAP2 (0.60) PDGFRBPDGFRATOP2ATOP2BBIRC5
SCHEMBL30547072 0.78 PDGFRB (0.60) PDGFRBPDGFRATOP2ATOP2BCYP1A2
SCHEMBL2198777 0.78 PDGFRB (0.60) PDGFRBPDGFRATOP2ATOP2BCYP1A2
SCHEMBL1042969 0.77 PDGFRA (0.51) PDGFRBPDGFRATOP2ATOP2BCYP1A2
SCHEMBL11055640 0.76 RXFP1 (0.50) CYP1A2CLK4NPC1ALDH1A1RAB9A
SCHEMBL462907 0.75 PDGFRA (0.51) PDGFRBPDGFRACYP1A2PARP10PARP11
SCHEMBL1045276 0.75 PDGFRB (0.61) PDGFRBPDGFRACYP1A2PARP10PARP11
SCHEMBL29375329 0.75 CYP1A2 (0.56) PDGFRBPDGFRACYP1A2PARP10PARP11

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
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