SCHEMBL21724955

SCHEMBL21724955

Cn1cc(-c2ccccc2C(N)=O)cn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.59
GRM2 Q14416 1/20 0.56
PDK2 Q15119 5/20 0.56
BTK Q06187 2/20 0.55
LCK P06239 1/20 0.55
BCAT2 O15382 1/20 0.54
SMARCA2 P51531 1/20 0.53
SMARCA4 P51532 1/20 0.53
BRD4 O60885 1/20 0.50
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SYK P43405 1/20 0.46
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL30965134 1.00 PIK3CD (0.59) PIK3CDGRM2PDK2BTKLCK
SCHEMBL16179380 0.87 BTK (0.55) PIK3CDGRM2PDK2BTKLCK
SCHEMBL31048540 0.86 PDK2 (0.55) PIK3CDGRM2PDK2BTKLCK
SCHEMBL19484795 0.86 BRD4 (0.51) PIK3CDGRM2PDK2BTKLCK
SCHEMBL30263308 0.85 C1S (0.51) PIK3CDGRM2PDK2BTKLCK
SCHEMBL21400332 0.84 BRD4 (0.50) PIK3CDGRM2PDK2BTKLCK
SCHEMBL3999222 0.84 SMARCA2 (0.50) PIK3CDGRM2PDK2BTKLCK
SCHEMBL27717965 0.83 BCAT2 (0.56) PIK3CDGRM2PDK2BTKLCK
SCHEMBL30527143 0.82 SLC22A12 (0.54) PIK3CDGRM2PDK2BTKLCK
SCHEMBL3995847 0.82 SLC6A3 (0.54) PIK3CDGRM2PDK2BTKLCK

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-3837262-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF Amgen Inc. (US) 2021-06-23 EP disclosed
WO-2020036940-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF AMGEN INC. (US) 2020-02-20 WO disclosed