SCHEMBL13362102

SCHEMBL13362102

N=Cc1c(NCc2ccccc2)cnc2ccc(Br)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ CCNC P24863 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.46
▸ PDE5A O76074 2/20 0.43
▸ EGFR P00533 4/20 0.41
▸ HIF1A Q16665 2/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ASPH Q12797 1/20 0.40
▸ RIOX2 Q8IUF8 1/20 0.40
▸ KDM8 Q8N371 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL18930487 0.78 SMN1; SMN2 (0.50) HTTLMNASMN1; SMN2CCNCCDK8
SCHEMBL6857685 0.74 HTT (0.56) HTTLMNASMN1; SMN2CCNCCDK8
SCHEMBL17845927 0.73 LMNA (1.00) HTTLMNASMN1; SMN2CCNCCDK8
SCHEMBL13917362 0.70 HTT (0.45) HTTLMNASMN1; SMN2CCNCCDK8
SCHEMBL18171881 0.69 PDGFRB (0.61) HTTLMNASMN1; SMN2CCNCCDK8
SCHEMBL22084443 0.69 BACE1 (0.40) HTTLMNASMN1; SMN2KDM4EHSD17B10
SCHEMBL14684575 0.68 KDM4E (0.49) SMN1; SMN2KDM4EASPHRIOX2KDM8
SCHEMBL7349396 0.67 KMT2A (0.51) HTTLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL21055794 0.67 PDE5A (0.71) HTTLMNASMN1; SMN2RXFP1PDE5A
SCHEMBL21055798 0.66 LMNA (0.59) HTTLMNASMN1; SMN2PDE5AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009155527-A9 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2010-05-06 — — WO disclosed
WO-2009155527-A2 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2009-12-23 — — WO disclosed
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