SCHEMBL11233335

SCHEMBL11233335

CC(=O)Nc1nn(CCCOC(C)=O)c2ncc(-c3cncc(C)c3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
CDK7 P50613 1/20 0.32
NR3C1 P04150 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL11229121 0.88 MEN1 (0.41) ATMMEN1KMT2AKDM4ELMNA
SCHEMBL11222288 0.81 MEN1 (0.40) ATMMEN1KMT2AKDM4ELMNA
SCHEMBL11231103 0.74 MERTK (0.38) KDM4EAPOBEC3AAPOBEC3GSIGMAR1
SCHEMBL11231701 0.70 PABPC1 (0.51) ATMMEN1KMT2AKDM4ELMNA
SCHEMBL11236486 0.67 ATM (0.44) ATMMEN1KMT2AKDM4EMAPT
SCHEMBL11231889 0.66 KDM4E (0.49) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL11227000 0.65 ATM (0.42) ATMKDM4EMAPTCASP1CASP7
SCHEMBL11226073 0.65 ATM (0.45) ATMKDM4EMAPTCASP1CASP7
SCHEMBL11238184 0.63 MAPK10 (0.43) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL17316881 0.62 PIK3CG (0.53) MAPTPIK3CGPIK3CDGAA

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
US-4361568-A 5-(Pyridinyl)-1H-pyrazolo[3,4-b]pyridin-3-amines and their cardiotonic use STERLING DRUG INC. (US) 1982-11-30 US disclosed
EP-0063754-A1 Pyrazolopyridine derivatives, and preparation, useful as cardiotonics STERLING DRUG INC. (US) 1982-11-03 EP disclosed