SCHEMBL30603333

SCHEMBL30603333

CC(C)(C)OC(=O)N1CCc2c(ncnc2Sc2ccc(C#N)cc2C(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
MKNK1 Q9BUB5 10/20 0.39
EGLN2 Q96KS0 1/20 0.38
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
P2RX7 Q99572 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
SCHEMBL30603337 1.00 GPR119 (0.41) GPR119IRAK4MKNK1EGLN2PARP1
SCHEMBL30603339 0.88 MKNK1 (0.47) MKNK1PARP1TNKS2PARP2P2RX7
SCHEMBL29330275 0.78 MKNK1 (0.48) MKNK1P2RX7
SCHEMBL29329976 0.76 PARP1 (0.42) GPR119MKNK1PARP1TNKS2PARP2
SCHEMBL29330191 0.76 MKNK1 (0.43) MKNK1PARP1TNKS2PARP2
SCHEMBL29090285 0.75 DRD2 (0.36)
SCHEMBL30603355 0.75 DRD2 (0.36)
SCHEMBL29899510 0.74 GPR119 (0.44) GPR119MKNK1PARP1TNKS2PARP2
SCHEMBL29899537 0.71 MKNK1 (0.46) MKNK1PARP1TNKS2PARP2
SCHEMBL21807381 0.71 TRPC5 (0.58) MKNK1

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
CN-116731013-A Heterocyclic compound, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-09-12 CN disclosed