SCHEMBL19258971

SCHEMBL19258971

C=C(C)n1ncc2ncccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 8/20 0.36
DAO P14920 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 4/20 0.31
RPS6KA4 O75676 1/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 1/20 0.31
MET P08581 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 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
SCHEMBL1638804 0.83 CHEK1 (0.44) RPS6KA5DAOKMT2AALDH1A1MEN1
SCHEMBL18442481 0.77 DAO (0.38) RPS6KA5DAOKDM4EMAPTKMT2A
SCHEMBL29510696 0.77 DAO (0.38) RPS6KA5DAOKDM4EMAPTKMT2A
SCHEMBL30308887 0.75 POLB (0.42) KDM4EMAPTALDH1A1
SCHEMBL19259003 0.72 HDAC8 (0.38) KDM4E
SCHEMBL7844696 0.72 RPS6KA5 (0.41) RPS6KA5DAOKDM4EMAPTKMT2A
SCHEMBL29557414 0.72 RPS6KA5 (0.41) RPS6KA5KDM4EMAPTKMT2AALDH1A1
SCHEMBL256344 0.72 RPS6KA5 (0.41) RPS6KA5KDM4EMAPTKMT2AALDH1A1
SCHEMBL19258999 0.72
Water SCHEMBL7479800 0.71 RPS6KA5 (0.40) RPS6KA5DAOKDM4EMAPTKMT2A

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-2017133657-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed