SCHEMBL7680064

SCHEMBL7680064

CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(-c3cccc(C(F)(F)F)c3)n2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
CDK2 P24941 4/20 0.39
CDK4 P11802 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
LRRK2 Q5S007 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA1 P30542 1/20 0.36
CNR2 P34972 2/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL7676921 0.88 AKT1 (0.45) USP7CDK2CDK4AKT1AKT2
SCHEMBL7673714 0.86 LRRK2 (0.37) PIK3CDPIK3CAPIK3CGMEN1NPC1
SCHEMBL7683036 0.84 CDK2 (0.41) USP7PIK3CDPIK3CGCDK2CDK4
SCHEMBL7675252 0.84 CDK2 (0.53) USP7CDK2CDK4MEN1NPC1
SCHEMBL7676881 0.81 CDK2 (0.41) USP7CDK2CDK4AKT1AKT2
SCHEMBL7681426 0.78 CDK2 (0.46) CDK2CDK4AKT1AKT2
SCHEMBL7683354 0.78 CDK2 (0.42) CDK2CDK4
SCHEMBL7680593 0.77 CDK2 (0.42) CDK2CDK4
SCHEMBL7674268 0.76 AKT1 (0.39) USP7CDK2CDK4MEN1RAB9A
SCHEMBL7676656 0.76 CDK2 (0.48) CDK2CDK4

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