SCHEMBL7154149

SCHEMBL7154149

CCCNc1[nH]c(NC2CCC(N)CC2)nc2ncnc1-2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
MERTK Q12866 4/20 0.34
TYRO3 Q06418 3/20 0.34
AXL P30530 2/20 0.34
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BTK Q06187 3/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
FLT3 P36888 1/20 0.31
GAS6 Q14393 1/20 0.31
SMYD3 Q9H7B4 3/20 0.30
EGFR P00533 1/20 0.30
MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL7154151 1.00 PIM1 (0.38) PIM1MERTKTYRO3AXLCCNB2
Hydrochloric Acid SCHEMBL4898605 0.99 PIM1 (0.37) PIM1MERTKTYRO3AXLCCNB2
Hydrochloric Acid SCHEMBL4898626 0.99 PIM1 (0.37) PIM1MERTKTYRO3AXLCCNB2
SCHEMBL7153615 0.90 PIM1 (0.38) PIM1CCNB2CDK1CCNB1CCNB3
Hydrochloric Acid SCHEMBL4898599 0.89 PIM1 (0.38) PIM1CCNB2CDK1CCNB1CCNB3
Hydrochloric Acid SCHEMBL4898584 0.89 PIM1 (0.38) PIM1CCNB2CDK1CCNB1CCNB3
SCHEMBL7154106 0.84 APP (0.40) PIM1MERTKTYRO3AXLCCNB2
SCHEMBL7152982 0.81 MAPKAPK2 (0.38) PIM1MERTKTYRO3AXLCCNB2
SCHEMBL7152990 0.81 MAPKAPK2 (0.38) PIM1MERTKTYRO3AXLCCNB2
Hydrochloric Acid SCHEMBL4901100 0.81 MAPKAPK2 (0.38) PIM1MERTKTYRO3AXLCCNB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 EP claimed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 WO claimed
EP-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 EP disclosed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 WO disclosed