SCHEMBL8073079

SCHEMBL8073079

COc1ccc(CN)c(OC)c1Cn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.58
KDR P35968 5/20 0.58
FLT3 P36888 3/20 0.58
PIM1 P11309 1/20 0.57
CAMK2D Q13557 1/20 0.57
PRKCA P17252 3/20 0.56
CCNE2 O96020 1/20 0.53
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53

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
SCHEMBL8064917 0.93 GSK3B (0.58) GSK3BKDRFLT3PIM1CAMK2D
SCHEMBL8073162 0.92 KDR (0.59) GSK3BKDRFLT3PIM1CAMK2D
Hydrochloric Acid SCHEMBL8075396 0.82 PRKCA (0.59) GSK3BKDRFLT3PIM1CAMK2D
SCHEMBL8075731 0.81 PIM1 (0.70) PIM1CAMK2DPRKCACCNE2CDK4
SCHEMBL8075459 0.77 PIM1 (0.70) PIM1CAMK2DPRKCACCNE2CDK4
SCHEMBL8064786 0.77 GSK3B (0.59) GSK3BKDRFLT3PIM1CAMK2D
SCHEMBL8073168 0.77 PRKCA (0.58) GSK3BKDRPIM1CAMK2DPRKCA
SCHEMBL8075976 0.77 PIM1 (0.60) PIM1CAMK2DPRKCACCNE2CDK4
Hydrochloric Acid SCHEMBL8079978 0.76 PIM1 (0.59) PIM1CAMK2DPRKCACCNE2CDK4
Hydrochloric Acid SCHEMBL8163206 0.76 PIM1 (0.86) GSK3BPIM1CAMK2DPRKCACCNE2

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-6153641-A Pharmaceutically active compounds ASTRA AKTIEBOLAG (SE) 2000-11-28 US disclosed