SCHEMBL18892245

SCHEMBL18892245

Cc1cn(S)c2ncc(N3CCOCC3C)cc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 12/20 0.46
MTOR P42345 5/20 0.38
PIK3R1 P27986 2/20 0.38
PIK3CA P42336 2/20 0.38
RICTOR Q6R327 2/20 0.38
RPTOR Q8N122 2/20 0.38
MAPKAP1 Q9BPZ7 2/20 0.38
MLST8 Q9BVC4 2/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MET P08581 1/20 0.37
ATR Q13535 1/20 0.36

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
SCHEMBL18892244 0.87 ATR (0.40) PIK3C3MTORPIK3R1PIK3CAPDCD1
SCHEMBL18891809 0.80 ACVR1 (0.42) MTORPIK3R1PIK3CAMET
SCHEMBL25970657 0.76 PIK3C3 (0.43) PIK3C3PDCD1CD274METATR
SCHEMBL21557965 0.76 ACVR1 (0.41) PIK3CAMET
SCHEMBL18892003 0.75 MAPK1 (0.50) PIK3C3MTORATR
SCHEMBL21557690 0.74 JAK2 (0.37) PIK3C3MTORPIK3R1PIK3CARICTOR
SCHEMBL21557648 0.74 CHRNB2 (0.38)
SCHEMBL21557989 0.74 MET (0.37) METATR
SCHEMBL21557702 0.73 MAP3K12 (0.38) MTORPIK3CA
SCHEMBL21557941 0.73 PDE1B (0.42) MET

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377491-B1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2019-11-13 EP disclosed
EP-3170822-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2017-05-24 EP disclosed