SCHEMBL7154106

SCHEMBL7154106

N[C@H]1CC[C@H](Nc2nc3ncnc-3c(NCCc3ccccc3)[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MERTK Q12866 4/20 0.40
AXL P30530 3/20 0.40
TYRO3 Q06418 3/20 0.40
CDK2 P24941 4/20 0.39
CCNA2 P20248 3/20 0.39
CCNE2 O96020 3/20 0.39
CCNE1 P24864 3/20 0.39
CCNA1 P78396 2/20 0.39
SLC29A1 Q99808 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
BTK Q06187 3/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL7152990 0.89 MAPKAPK2 (0.38) APPBCHEACHEMERTKAXL
SCHEMBL7152982 0.89 MAPKAPK2 (0.38) APPBCHEACHEMERTKAXL
Hydrochloric Acid SCHEMBL4889999 0.89 PI4KA (0.42) APPBCHEACHEMERTKAXL
Hydrochloric Acid SCHEMBL4889988 0.89 PI4KA (0.42) APPBCHEACHEMERTKAXL
Hydrochloric Acid SCHEMBL4901100 0.88 MAPKAPK2 (0.38) APPBCHEACHEMERTKAXL
Hydrochloric Acid SCHEMBL4901111 0.88 MAPKAPK2 (0.38) APPBCHEACHEMERTKAXL
SCHEMBL7153615 0.85 PIM1 (0.38) BTKCDK1CCNB1CCNB2CCNB3
SCHEMBL7154151 0.84 PIM1 (0.38) MERTKAXLTYRO3BTKMAPKAPK2
Hydrochloric Acid SCHEMBL4898599 0.84 PIM1 (0.38) BTKCDK1CCNB1CCNB2CCNB3
SCHEMBL7154149 0.84 PIM1 (0.38) MERTKAXLTYRO3BTKMAPKAPK2

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-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