SCHEMBL20792252

SCHEMBL20792252

CC1CCC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BMPR1B O00238 1/20 0.43
P2RY12 Q9H244 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL19343832 0.86 ABL1 (0.56)
SCHEMBL25004 0.86 ABL1 (0.56)
SCHEMBL19344406 0.86 PRMT6 (0.43) ADORA3PRMT6NPC1RAB9ASMN1; SMN2
SCHEMBL19146448 0.85 CYP1A2 (0.48) PRMT6NPC1RAB9ASMN1; SMN2P2RY12
SCHEMBL19146239 0.85 P2RY12 (0.44) ADORA3PRMT6P2RY12
SCHEMBL31093228 0.84 SLC29A1 (0.49) ADORA3NPC1RAB9ASMN1; SMN2ADORA1
SCHEMBL26455122 0.84 ADORA3 (0.45) ADORA3PRMT6P2RY12
SCHEMBL26455308 0.84 ADORA3 (0.45) ADORA3PRMT6P2RY12
SCHEMBL26455293 0.84 ADORA3 (0.45) ADORA3PRMT6P2RY12
SCHEMBL14968142 0.83 PRMT6 (0.41) ADORA3PRMT6BMPR1BP2RY12ADORA1

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-3601313-B1 MODIFIED CYCLIC DINUCLEOTIDE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2021-03-10 EP disclosed
WO-2019046498-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-03-07 WO disclosed