SCHEMBL20207522

SCHEMBL20207522

COC(C)c1nc(SC)ncc1Br

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL20207519 0.82 MEN1 (0.34) MEN1KMT2A
SCHEMBL20203615 0.82 MEN1 (0.34) MEN1KMT2A
SCHEMBL14994327 0.72 GAA (0.37) MEN1KMT2AKDM4E
SCHEMBL25022837 0.71 KDM4E (0.32) MEN1KMT2AKDM4E
SCHEMBL18314634 0.69 LMNA (0.41) MEN1KMT2AKDM4E
SCHEMBL9910955 0.69 MEN1 (0.43) MEN1KMT2A
SCHEMBL29545354 0.69 MEN1 (0.43) MEN1KMT2A
SCHEMBL19744117 0.68 KMT2A (0.42) MEN1KMT2AKDM4E
SCHEMBL26307238 0.68
SCHEMBL4076222 0.68

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-2018097295-A1 CRYSTAL OF PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF 帝人ファーマ株式会社 2018-05-31 WO disclosed