SCHEMBL8475832

SCHEMBL8475832

COc1ccc(Cl)cc1-c1c(N)c(=O)[nH]c2cc(Cl)cc(Cl)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.51
CDK2 P24941 2/20 0.51
CLK2 P49760 2/20 0.51
GSK3B P49841 2/20 0.51
CAMK2B Q13554 2/20 0.51
CAMK2G Q13555 2/20 0.51
CAMK2D Q13557 2/20 0.51
DYRK1A Q13627 2/20 0.51
CDC42BPA Q5VT25 2/20 0.51
PLK3 Q9H4B4 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
STK17A Q9UEE5 2/20 0.51
EEF2K O00418 1/20 0.51
PLK4 O00444 1/20 0.51
IKBKB O14920 1/20 0.51
DYRK3 O43781 1/20 0.51
AKT1 P31749 1/20 0.51
AKT2 P31751 1/20 0.51
IRAK1 P51617 1/20 0.51
RPS6KA3 P51812 1/20 0.51

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
SCHEMBL8480479 0.86 CYP2C9 (0.49) PIM1CDK2CLK2GSK3BCAMK2B
SCHEMBL6545665 0.85 EEF2K (0.71) PIM1CDK2CLK2GSK3BCAMK2B
SCHEMBL8482604 0.83 CYP2C9 (0.51) PIM1CDK2CLK2GSK3BCAMK2B
SCHEMBL8475992 0.83 ROCK2 (0.53) PIM1CDK2CLK2GSK3BCAMK2B
SCHEMBL6545659 0.83 EEF2K (0.57) PIM1CDK2CLK2GSK3BCAMK2B
SCHEMBL8480710 0.81 CYP2C9 (0.52) PIM1CDK2CLK2GSK3BCAMK2B
SCHEMBL8481050 0.81 PIM1 (0.76) PIM1CDK2CLK2GSK3BCAMK2B
SCHEMBL8481585 0.80 CYP2C9 (0.54) PIM1CDK2CLK2GSK3BCAMK2B
SCHEMBL8480726 0.77 CYP2C9 (0.55) PIM1CDK2CLK2GSK3BCAMK2B
SCHEMBL7487055 0.76 CYP2C9 (0.73) PIM1CDK2CLK2GSK3BCAMK2B

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
US-5972961-A ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES; SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-10-26 US disclosed