SCHEMBL11229121

SCHEMBL11229121

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PABPC1 P11940 1/20 0.38
PIK3CG P48736 1/20 0.37
APOBEC3A P31941 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
BRD4 O60885 2/20 0.35
CREBBP Q92793 1/20 0.35
CDK7 P50613 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL11233335 0.88 ATM (0.39) MEN1KMT2AATMKDM4ECASP1
SCHEMBL11231103 0.85 MERTK (0.38) KDM4EAPOBEC3AAPOBEC3GBRD4SPR
SCHEMBL11236404 0.80 GSK3B (0.42) SPRMERTKSIGMAR1CYP11B2MAPK1
SCHEMBL11233210 0.80 MEN1 (0.43) MEN1KMT2AATMKDM4ECASP1
SCHEMBL11231701 0.73 PABPC1 (0.51) MEN1KMT2AATMKDM4ECASP1
SCHEMBL11222288 0.72 MEN1 (0.40) MEN1KMT2AATMKDM4ECASP1
SCHEMBL11395666 0.70 PRMT5 (0.41) BRD4SIGMAR1CYP11B2TAF1ATAD2
SCHEMBL11231889 0.69 KDM4E (0.49) MEN1KMT2AKDM4ECASP1CASP7
SCHEMBL11238184 0.65 MAPK10 (0.43) MEN1KMT2AKDM4ECASP1CASP7
SCHEMBL17316881 0.64 PIK3CG (0.53) MAPTPIK3CGGAA

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