SCHEMBL22690132

SCHEMBL22690132

COc1c(Nc2c[nH]c3ccccc23)c(=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.43
CREBBP Q92793 1/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
PDGFRB P09619 4/20 0.41
FLT4 P35916 4/20 0.41
KDR P35968 4/20 0.41
FLT3 P36888 4/20 0.41
PLK4 O00444 3/20 0.41
AURKA O14965 3/20 0.41
SRC P12931 3/20 0.41
TEK Q02763 3/20 0.41
AURKB Q96GD4 3/20 0.41
NUAK1 O60285 2/20 0.41
EGFR P00533 2/20 0.41
INSR P06213 2/20 0.41
IGF1R P08069 2/20 0.41
KIT P10721 2/20 0.41
CDK4 P11802 2/20 0.41

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
SCHEMBL25120758 0.77 STING1 (0.43) KMT2ASTING1KDM4EALDH1A1
SCHEMBL25120800 0.74 CCR6 (0.41) KMT2ACDK4CCND1ABL1CDK2
SCHEMBL25120724 0.74 STING1 (0.41) MEN1KMT2ACDK4CCND1STING1
SCHEMBL6654114 0.74 ATM (0.52) NR4A2CREBBPMEN1KMT2ASTING1
SCHEMBL22700001 0.73 STING1 (0.42) NR4A2MEN1KMT2ACDK4CCND1
SCHEMBL25120782 0.73 STING1 (0.60) KMT2APDGFRBSTING1SMN1; SMN2TP53
SCHEMBL25120874 0.73 STING1 (0.43) NR4A2CREBBPKMT2ASTING1KDM4E
SCHEMBL22699991 0.72 PLK1 (0.43) PLK4GSK3BSTING1
SCHEMBL22699992 0.72 PLK1 (0.43) PLK4GSK3BSTING1
SCHEMBL22699986 0.72 PLK1 (0.43) PLK4GSK3BSTING1

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-2020236586-A1 N-HETARYL-SQUARAMIDE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-11-26 WO disclosed
WO-2020236586-A1 N-HETARYL-SQUARAMIDE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-11-26 WO disclosed