SCHEMBL8923158

SCHEMBL8923158

Cn1cc(N2C(=O)C=C(c3cn(CCCO)c4ccccc34)C2=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
CCNT1 O60563 3/20 0.45
CDK9 P50750 3/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
PIM1 P11309 2/20 0.44
CAMK2D Q13557 1/20 0.44
PRKCA P17252 2/20 0.44
PRKACA P17612 2/20 0.44
PRKACG P22612 2/20 0.44
PRKACB P22694 2/20 0.44
PRKCB P05771 1/20 0.44
PRKCE Q02156 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42

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
SCHEMBL25282614 0.89 CAMK2D (0.57) CCNT1CDK9CCNA2CDK2PIM1
SCHEMBL8619764 0.85 CAMK2D (0.57) CCNT1CDK9CCNA2CDK2PIM1
SCHEMBL9536683 0.81 PRKCB (0.62) GSK3BCCNT1CDK9CCNA2CDK2
SCHEMBL4565063 0.74 MAPT (0.41) GSK3BPRKCAPRKACAPRKACGPRKACB
SCHEMBL4564847 0.73 CCNB2 (0.51) GSK3BCDK2PIM1PRKCAPRKACA
SCHEMBL3139598 0.73 GSK3B (0.78) GSK3BCCNT1CDK9CDK2PIM1
SCHEMBL8466339 0.71 CCNT1 (0.44) GSK3BCCNT1CDK9CCNA2CDK2
SCHEMBL30358319 0.71 GSK3B (0.46) GSK3BCCNT1CDK9CCNA2CDK2
SCHEMBL8920187 0.71 PRKCG (0.59) GSK3BCCNT1CDK9CDK2PIM1
SCHEMBL29447190 0.70 GSK3B (0.53) GSK3BCCNT1CDK9CCNA2CDK2

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-5672618-A TREATING DIABETIC COMPLICATIONS ELI LILLY AND COMPANY (US) 1997-09-30 US disclosed