SCHEMBL935378

SCHEMBL935378

CN1CCN(c2cccnc2C(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADRA2C P18825 1/20 0.46
SLC2A1 P11166 2/20 0.46
CHIA Q9BZP6 1/20 0.45
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
CCNT1 O60563 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CDK9 P50750 1/20 0.42
CDK6 Q00534 1/20 0.42
CDK11A Q9UQ88 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
PRKCQ Q04759 1/20 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
SCHEMBL17478686 0.86 PIM1 (0.56) KDM4EHSD17B10PIM1PIM3CDK9
SCHEMBL18607846 0.84 PIM1 (0.58) KDM4EALDH1A1HSD17B10PIM1PIM3
SCHEMBL15408226 0.83 LMNA (0.54) KDM4EALDH1A1HSD17B10HTT
SCHEMBL944622 0.82 POLB (0.51) KDM4EALDH1A1HSD17B10PIM1PIM3
SCHEMBL30263296 0.82 HTR2A (0.54) KDM4EALDH1A1PIM1PIM3PRKCQ
SCHEMBL25411523 0.82 HTR2A (0.54) KDM4EALDH1A1PIM1PIM3PRKCQ
SCHEMBL29402590 0.82 MEN1 (0.46) ALDH1A1HSD17B10PIM1PIM3
Hydrochloric Acid SCHEMBL30782681 0.81 HTR2A (0.52) KDM4EALDH1A1PIM1PIM3PRKCQ
SCHEMBL4554733 0.79 KDM4E (0.48) KDM4EALDH1A1HSD17B10ADRA2CHRH4
SCHEMBL15408382 0.76 PRMT5 (0.40) CHIAPIM1PIM3

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
EP-2454250-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2012-05-23 EP claimed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO claimed