SCHEMBL3937869

SCHEMBL3937869

Cn1cccc1-c1c(C#N)c2nc[nH]c(=O)c2n1CCNC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 5/20 0.34
PKM P14618 4/20 0.34
GLA P06280 4/20 0.34
GAA P10253 4/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
POLB P06746 3/20 0.31
BRD4 O60885 1/20 0.31
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3934662 0.91 KDM4E (0.32) KDM4EALDH1A1HPGDPKMGLA
SCHEMBL13843277 0.86 JAK2 (0.36) KDM4EALDH1A1HPGDPKMGLA
SCHEMBL3943935 0.86 KDM4E (0.36) KDM4EALDH1A1HPGDPKMGLA
SCHEMBL3939618 0.84 HTT (0.34) KDM4EALDH1A1HPGDPKMGLA
SCHEMBL13843280 0.84 KDM4E (0.34) KDM4EALDH1A1HPGDPKMGLA
SCHEMBL3941696 0.83 HTT (0.39) KDM4EALDH1A1HPGDPKMGLA
SCHEMBL3937495 0.83 HTT (0.33) KDM4EALDH1A1HPGDPKMGLA
SCHEMBL13843319 0.81 HTT (0.39) KDM4EALDH1A1HTTBRD4HSD17B10
SCHEMBL3936654 0.81 HTT (0.32) KDM4EALDH1A1HPGDPKMGLA
SCHEMBL3935328 0.81 HTT (0.32) KDM4EALDH1A1HPGDPKMGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
CN-1633436-A Pyrrolopyrimidine derivatives TEIJIN LTD (JP) 2005-06-29 CN disclosed
EP-1477489-A1 PYRROLOPYRIMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2004-11-17 EP disclosed