SCHEMBL13658336

SCHEMBL13658336

C1=Cc2[nH]c3cccc(-c4cnc5ccccc5c4)c3c2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.44
▸ PDGFRA P16234 3/20 0.44
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP11 Q9NR21 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ CREBBP Q92793 2/20 0.40
▸ NISCH Q9Y2I1 1/20 0.38
▸ BIRC5 O15392 1/20 0.37
▸ TOP2A P11388 1/20 0.36
▸ TOP2B Q02880 1/20 0.36
▸ PIM1 P11309 3/20 0.36
▸ CLK2 P49760 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ BMPR1B O00238 1/20 0.36
▸ PIK3C2G O75747 1/20 0.36
▸ CDKL5 O76039 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ STK32B Q9NY57 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ IRAK3 Q9Y616 1/20 0.36

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 0.74 PDGFRB (0.60) PDGFRBPDGFRABRD4CREBBPNISCH
SCHEMBL1042969 0.72 PDGFRA (0.51) PDGFRBPDGFRAPARP10PARP11BRD4
SCHEMBL1045337 0.69 PDGFRB (0.56) PDGFRBPDGFRAPARP10PARP11BRD4
SCHEMBL1045276 0.68 PDGFRB (0.61) PDGFRBPDGFRAPARP10PARP11BRD4
SCHEMBL462976 0.68 PDGFRB (0.51) PDGFRBPDGFRAPARP10PARP11BRD4
SCHEMBL462907 0.68 PDGFRA (0.51) PDGFRBPDGFRAPARP10PARP11BRD4
SCHEMBL461745 0.68 PDGFRB (0.51) PDGFRBPDGFRAPARP10PARP11BRD4
SCHEMBL808411 0.68 RAB9A (0.35) CDK1MAPK1CYP2A6
SCHEMBL27833818 0.67 PDGFRB (0.60) PDGFRBPDGFRABRD4CREBBPNISCH
SCHEMBL24203201 0.67 KDM4E (0.35) —

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-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 — — WO disclosed
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