SCHEMBL29415696

SCHEMBL29415696

CCOC(=O)c1nnc(Cc2cc(F)cc(C#N)c2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.39
KDM4E B2RXH2 4/20 0.38
GLA P06280 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GRM5 P41594 1/20 0.36
EPAS1 Q99814 1/20 0.36
TSHR P16473 2/20 0.35
NTRK1 P04629 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL19207821 1.00 PGR (0.39) PGRKDM4EGLAATMALDH1A1
SCHEMBL23927445 0.87 NTRK1 (0.43) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29415687 0.85 PIN1 (0.37) GPR52RIPK1
SCHEMBL19207556 0.85 PIN1 (0.37) GPR52RIPK1
SCHEMBL23927479 0.84 TSHR (0.39) KDM4EALDH1A1MAPTHSD17B10TP53
SCHEMBL30091457 0.84 TSHR (0.39) KDM4EALDH1A1MAPTHSD17B10TP53
SCHEMBL19207896 0.82 POLB (0.46) RXFP1GRM5
SCHEMBL29415805 0.82 POLB (0.46) RXFP1GRM5
SCHEMBL23927435 0.81 PDE3B (0.39) KDM4EALDH1A1MAPTALOX15MEN1
SCHEMBL30091704 0.81 PDE3B (0.39) KDM4EALDH1A1MAPTALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994190-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 CN disclosed
CN-118994191-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 CN disclosed
CN-114437105-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-10-11 CN disclosed
CN-114437105-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-05-06 CN disclosed
CN-109071504-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-03-08 CN disclosed