SCHEMBL21676901

SCHEMBL21676901

Cc1ccc(NC(=O)CN2CCC(C)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
WNT1 P04628 1/20 0.55
GSK3B P49841 1/20 0.55
DYRK1A Q13627 1/20 0.55
KCNT1 Q5JUK3 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
TSHR P16473 2/20 0.50
MKNK1 Q9BUB5 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL17409785 0.90 DRD4 (0.56) DRD2DRD4WNT1GSK3BDYRK1A
SCHEMBL17450652 0.86 RAB9A (0.57) KDM4EWNT1GSK3BDYRK1ASMN1; SMN2
SCHEMBL17450650 0.85 RAB9A (0.56) KDM4EWNT1GSK3BDYRK1AMAPT
SCHEMBL17409783 0.85 WNT1 (0.57) KDM4EDRD2DRD4WNT1GSK3B
SCHEMBL17409789 0.85 DRD4 (0.51) DRD2DRD4WNT1GSK3BDYRK1A
SCHEMBL17450648 0.84 ALDH1A1 (0.60) KDM4EWNT1GSK3BDYRK1AMAPT
SCHEMBL17403523 0.84 WNT1 (0.53) KDM4EWNT1GSK3BDYRK1ASMN1; SMN2
SCHEMBL15743960 0.83 TSHR (0.72) WNT1GSK3BDYRK1ASMN1; SMN2ALDH1A1
SCHEMBL21676988 0.83 RAB9A (0.53) DRD2DRD4SMN1; SMN2MAPTRAB9A
SCHEMBL18998184 0.83 RAB9A (0.53) DRD2DRD4SMN1; SMN2MAPTRAB9A

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
EP-3319602-B1 FUSED QUINOLINE COMPOUNDS AS PI3K/MTOR INHIBITORS ADVENCHEN PHARMACEUTICALS LLC (US) 2020-02-05 EP disclosed