SCHEMBL21879883

SCHEMBL21879883

COC(=O)c1c(Cl)ncn1C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TGFBR1 P36897 1/20 0.38
NR1H2 P55055 2/20 0.38
GPR119 Q8TDV5 3/20 0.38
HCAR1 Q9BXC0 1/20 0.37
IL1B P01584 2/20 0.37
P2RX7 Q99572 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
PDE4B Q07343 1/20 0.36
JAK3 P52333 1/20 0.36
ATR Q13535 1/20 0.36
NAMPT P43490 1/20 0.36
USP30 Q70CQ3 2/20 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
SCHEMBL24126466 0.91 SRC (0.44) POLBGPR119HCAR1IL1BP2RX7
SCHEMBL23960115 0.91 SRC (0.44) POLBGPR119HCAR1IL1BP2RX7
SCHEMBL23930830 0.88 HCAR1 (0.49) POLBGPR119HCAR1
SCHEMBL21879885 0.79 SRC (0.48) POLBGPR119HCAR1IL1BP2RX7
SCHEMBL21879888 0.79 SRC (0.48) POLBGPR119HCAR1IL1BP2RX7
SCHEMBL21879911 0.79 SRC (0.48) POLBGPR119HCAR1IL1BP2RX7
SCHEMBL21879970 0.78 USP30 (0.42) POLBUSP30
SCHEMBL21879861 0.77 ALDH1A1 (0.34) POLB
SCHEMBL23930836 0.77 GPR119 (0.35) POLBNR1H2GPR119HCAR1ATR
SCHEMBL21880090 0.77 ALDH1A1 (0.48) POLBGPR119HCAR1

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
WO-2021215545-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 WO disclosed
WO-2020085493-A1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2020-04-30 WO disclosed