SCHEMBL7681605

SCHEMBL7681605

CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(S(=O)(=O)C(C)C)n2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.39
CDK4 P11802 6/20 0.39
HTR6 P50406 2/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
CCNA2 P20248 2/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
MET P08581 1/20 0.32
PDGFRA P16234 1/20 0.32
PRKACA P17612 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
SCHEMBL7675136 0.82 KMT2A (0.33) CDK2CDK4CCNE1
SCHEMBL7693720 0.81 CDK2 (0.40) CDK2CDK4HTR6AKT1AKT2
SCHEMBL7693721 0.81 CDK2 (0.40) CDK2CDK4HTR6AKT1AKT2
SCHEMBL7676656 0.81 CDK2 (0.48) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7676921 0.81 AKT1 (0.45) CDK2CDK4AKT1AKT2
SCHEMBL7676802 0.81 CDK2 (0.59) CDK2CDK4
SCHEMBL7673974 0.77 CDK2 (0.60) CDK2CDK4
SCHEMBL7683036 0.76 CDK2 (0.41) CDK2CDK4AKT1AKT2CDK1
SCHEMBL7680593 0.75 CDK2 (0.42) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL7680064 0.74 USP7 (0.41) CDK2CDK4AKT1AKT2LRRK2

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-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed