SCHEMBL30801506

SCHEMBL30801506

CSc1ncc(C#N)c(NC23CC(C2)C3)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPK8 P45983 2/20 0.33
▸ PRKCQ Q04759 7/20 0.32
▸ AURKA O14965 1/20 0.32
▸ PDE9A O76083 1/20 0.31
▸ GABBR2 O75899 1/20 0.31
▸ GABBR1 Q9UBS5 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ SYK P43405 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ LRRK2 Q5S007 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
SCHEMBL13736418 1.00 KDM4E (0.38) KDM4EMAPK8PRKCQAURKAPDE9A
SCHEMBL13734429 0.90 KDM4E (0.36) KDM4EPRKCQPDE9AMERTKLRRK2
SCHEMBL26104137 0.79 CSNK1A1 (0.45) MAPK8PRKCQAURKAGABBR2GABBR1
SCHEMBL30041499 0.79 CSNK1A1 (0.45) MAPK8PRKCQAURKAGABBR2GABBR1
SCHEMBL25224701 0.78 PDE9A (0.32) KDM4EPDE9A
SCHEMBL30461003 0.78 PDE9A (0.32) KDM4EPDE9A
SCHEMBL22165358 0.77 MAPK8 (0.33) MAPK8GABBR2GABBR1MAPK9MERTK
SCHEMBL29507863 0.77 MAPK8 (0.33) MAPK8GABBR2GABBR1MAPK9MERTK
SCHEMBL2480844 0.76 KDM4E (0.45) KDM4EAURKASYKMEN1GAA
SCHEMBL13737234 0.76 KDM4E (0.36) KDM4EMAPK8PRKCQMAPK9TSHR

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
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 — — EP disclosed
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