SCHEMBL18599284

SCHEMBL18599284

CCCN(C)c1nc(-c2ccnc3c2CCN3)cs1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.32
DHODH Q02127 1/20 0.32
LIMK1 P53667 1/20 0.31

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
SCHEMBL21974562 0.70 RAB9A (0.48)
SCHEMBL18678349 0.67 RAB9A (0.54) GRM1
SCHEMBL13685621 0.64 KDM4E (0.41) GRM1
SCHEMBL12127924 0.64 CCR1 (0.48)
SCHEMBL25933244 0.62 SMN1; SMN2 (0.38)
SCHEMBL14420773 0.61 HRH3 (0.46)
SCHEMBL25777808 0.61 MEN1 (0.40)
SCHEMBL11987587 0.61 HTR2C (0.43)
SCHEMBL13774787 0.60 CDC7 (0.32)
SCHEMBL12127868 0.60 PARP10 (0.51) LIMK1

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-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed