SCHEMBL2072485

SCHEMBL2072485

N#Cc1c(F)cccc1N1CCC(C#N)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
ALDH1A1 P00352 3/20 0.64
HPGD P15428 1/20 0.64
HSD17B10 Q99714 1/20 0.64
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
HRH1 P35367 1/20 0.51
GAA P10253 1/20 0.46
GRM2 Q14416 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PDCD1 Q15116 3/20 0.44
CD274 Q9NZQ7 3/20 0.44
EGLN2 Q96KS0 1/20 0.41
DPP4 P27487 1/20 0.40
DPP9 Q86TI2 1/20 0.40
LMNA P02545 1/20 0.39
EED O75530 1/20 0.38

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
SCHEMBL27850036 0.84 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10EGLN2
SCHEMBL8569982 0.82 ALDH1A1 (0.73) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL1154557 0.81 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL16793536 0.81 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL2557573 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL2073370 0.79 GAA (0.74) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL30413179 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10GRM2
SCHEMBL28348704 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL823501 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL3076269 0.78 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10DRD2

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
US-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed