SCHEMBL9738892

SCHEMBL9738892

C[C@@H]1[C@@H](N)CN1c1c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c2c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.54
AURKA O14965 1/20 0.54
CHUK O15111 1/20 0.54
MAPK13 O15264 1/20 0.54
DAPK3 O43293 1/20 0.54
PRKCG P05129 1/20 0.54
PIM1 P11309 1/20 0.54
CDK2 P24941 1/20 0.54
MARK3 P27448 1/20 0.54
AKT1 P31749 1/20 0.54
AKT2 P31751 1/20 0.54
MAPKAPK2 P49137 1/20 0.54
GSK3A P49840 1/20 0.54
NEK2 P51955 1/20 0.54
PLK1 P53350 1/20 0.54
MAPK12 P53778 1/20 0.54
CDK5 Q00535 1/20 0.54
PRKCD Q05655 1/20 0.54
PAK1 Q13153 1/20 0.54
STK3 Q13188 1/20 0.54

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
SCHEMBL9738901 1.00 IKBKB (0.54) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL9738898 1.00 IKBKB (0.54) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL9740442 0.83
SCHEMBL9740460 0.83
SCHEMBL9740450 0.83
SCHEMBL9215159 0.83 PIM1 (0.56) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL9216801 0.81 IKBKB (0.65) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL9206496 0.80 IKBKB (0.57) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL9215430 0.80 IKBKB (0.53) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL9824266 0.80 IKBKB (0.47) IKBKBAURKACHUKMAPK13DAPK3

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-5087621-A Microbiocides LABORATORIOS DEL DR. ESTEVE (ES) 1992-02-11 US disclosed