SCHEMBL3240478

SCHEMBL3240478

COC1CCC(Nc2cc(Cl)nc(CP(=O)(O)O)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.37
PIM2 Q9P1W9 3/20 0.36
CCNT1 O60563 1/20 0.35
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CDK2 P24941 2/20 0.34
CCNA2 P20248 1/20 0.34
PTGER1 P34995 1/20 0.34
MAPK8 P45983 6/20 0.33
MAPK9 P45984 2/20 0.33
CD38 P28907 1/20 0.33
MAPK3 P27361 1/20 0.33
CDC7 O00311 1/20 0.32
CHEK1 O14757 1/20 0.32
MAPK13 O15264 1/20 0.32
PDPK1 O15530 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL3240488 1.00 PIM1 (0.37) PIM1PIM2CCNT1NOS1NOS2
SCHEMBL2022964 0.86 PIM1 (0.35) PIM1PIM2CCNT1NOS1NOS2
SCHEMBL3236457 0.82 MAPK1 (0.37) PIM1CCNT1CDK2MAPK3CDC7
SCHEMBL3236327 0.81 CHRM3 (0.47) PIM1NOS1NOS2CDK2CCNA2
SCHEMBL2022965 0.78 PIM1 (0.35) PIM1PIM2CCNT1NOS1NOS2
SCHEMBL2019860 0.73 PDE4D (0.39) CCNT1CDK2MAPK3CDK9
SCHEMBL3231825 0.70 PGK1 (0.42)
SCHEMBL2021429 0.69 NUDT1 (0.46) PIM1PIM2CDK2CCNA2
SCHEMBL25136216 0.67 CD38 (0.49) CDK2CCNA2PTGER1CD38GSK3A
SCHEMBL30182757 0.67 CD38 (0.49) CDK2CCNA2PTGER1CD38GSK3A

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
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 WO disclosed