SCHEMBL21606264

SCHEMBL21606264

COC(=O)c1cnc2c(c1)NC(=O)N(C)N2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PSMD14 O00487 1/20 0.37
CASP3 P42574 1/20 0.37
P2RY12 Q9H244 1/20 0.37
CRBN Q96SW2 4/20 0.36
OPRK1 P41145 1/20 0.36
JMJD6 Q6NYC1 1/20 0.35
ALOX5 P09917 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DDB1 Q16531 2/20 0.35
CYP11B2 P19099 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL706689 0.80 ALDH1A1 (0.43) MAPK1ATML3MBTL1LMNAALDH1A1
SCHEMBL21932249 0.75 MAPK1 (0.38) MAPK1ATMKDM4EL3MBTL1LMNA
SCHEMBL31065610 0.75 MAPK1 (0.38) MAPK1ATMKDM4EL3MBTL1LMNA
SCHEMBL21932322 0.75 BRD4 (0.42) MAPK1ATMKDM4EL3MBTL1LMNA
SCHEMBL31065600 0.75 BRD4 (0.42) MAPK1ATMKDM4EL3MBTL1LMNA
SCHEMBL705650 0.74 ALDH1A1 (0.43) ATML3MBTL1LMNAALDH1A1PSMD14
SCHEMBL21606238 0.74 HSD17B10 (0.53) ATMKDM4EL3MBTL1LMNAALDH1A1
SCHEMBL708486 0.73 ALOX15 (0.38) MAPK1ATML3MBTL1LMNAALDH1A1
SCHEMBL707735 0.73 ALOX15 (0.56) ATMKDM4EL3MBTL1LMNAALDH1A1
SCHEMBL709393 0.73 ALOX15 (0.38) MAPK1ATMKDM4EL3MBTL1LMNA

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
WO-2019243823-A1 AZAHETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2019-12-26 WO disclosed