SCHEMBL12833307

SCHEMBL12833307

COc1ccc(Nc2c(C(N)=O)nnc3[nH]ccc23)cc1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.43
GRK5 P34947 3/20 0.40
MAPT P10636 1/20 0.39
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39
SYK P43405 2/20 0.38
PDE4B Q07343 1/20 0.38
RET P07949 1/20 0.38
CSF1R P07333 4/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37

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
SCHEMBL9918545 0.88 CSF1R (0.46) LRRK2MAPTCSF1R
SCHEMBL12833305 0.85 NOTUM (0.40) MAPTTTBK1TTBK2SYK
SCHEMBL9918529 0.76 JAK1 (0.34) TTBK1TTBK2SYKRET
SCHEMBL9921764 0.76 MEN1 (0.40) MAPTSYKCSF1R
SCHEMBL9918539 0.76 CSF1R (0.36) LRRK2GRK5MAPTTTBK1TTBK2
SCHEMBL9918522 0.75 CSF1R (0.38) TTBK1TTBK2CSF1R
SCHEMBL9918540 0.74 EGFR (0.42) GRK5CSF1RKCNH2
SCHEMBL12832928 0.73 LRRK2 (0.45) LRRK2
SCHEMBL9918558 0.72 HTT (0.41) LRRK2MAPT
SCHEMBL9921982 0.72 KDM4E (0.44) LRRK2SYK

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-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed