SCHEMBL4742121

SCHEMBL4742121

CC1=Cc2[nH]ncc2CC1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
MAPK10 P53779 1/20 0.33
RIPK1 Q13546 1/20 0.33
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
DRD2 P14416 3/20 0.31
DRD4 P21917 3/20 0.31
DRD3 P35462 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADRB2 P07550 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL22417373 0.61 NOS3 (0.31) NOS3NOS2
SCHEMBL23838299 0.61 NOS3 (0.31) NOS3NOS2
SCHEMBL18930132 0.58 NOS3 (0.30) NOS3NOS2
SCHEMBL8239213 0.58 PIM1 (0.42) PIM1FLT3DRD2DRD4DRD3
SCHEMBL17485781 0.58 PRKACA (0.54) PIM1FLT3DRD2DRD4DRD3
SCHEMBL22813276 0.56 LMNA (0.43) PIM1FLT3DRD2DRD4DRD3
SCHEMBL21614920 0.56 DRD4 (0.38) CCNA2CDK2CCNA1MAPK10RIPK1
SCHEMBL2507037 0.56
SCHEMBL22393737 0.55 CCNA2 (0.38) CCNA2CDK2CCNA1
SCHEMBL21845153 0.54 HSD17B1 (0.36) CCNA2CDK2CCNA1PIM1FLT3

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-1896424-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2008-03-12 EP claimed
WO-2006138373-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO claimed