SCHEMBL16665702

SCHEMBL16665702

Clc1ncc(Cl)c(-c2c[nH]cn2)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 2/20 0.42
KDM4E B2RXH2 1/20 0.35
BTK Q06187 1/20 0.31
TYRO3 Q06418 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL30463601 0.81 RPS6KA5 (0.37) RPS6KA5
SCHEMBL29225057 0.81 RPS6KA5 (0.37) RPS6KA5
SCHEMBL4166238 0.72 MAPT (0.33) KDM4E
SCHEMBL16665657 0.69 RPS6KA5 (0.40) RPS6KA5KDM4EBTKTYRO3DYRK1B
SCHEMBL29174702 0.69 RPS6KA5 (0.43) RPS6KA5KDM4EBTK
SCHEMBL29174727 0.68 RPS6KA5 (0.43) RPS6KA5KDM4EBTKTYRO3DYRK1B
SCHEMBL25551891 0.68 RPS6KA5 (0.42) RPS6KA5BTK
SCHEMBL30725466 0.68 RPS6KA5 (0.43) RPS6KA5KDM4EBTKTYRO3DYRK1B
SCHEMBL1806705 0.67 L3MBTL1 (0.40) RPS6KA5KDM4EBTK
SCHEMBL31006820 0.67 RPS6KA5 (0.42) RPS6KA5KDM4EBTK

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-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 WO disclosed