SCHEMBL752682

SCHEMBL752682

Nc1ccc2nc(N)c(-c3ccncc3)n2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 6/20 0.50
AKT1 P31749 2/20 0.40
AKT2 P31751 2/20 0.40
CDK2 P24941 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNA1 Q09470 1/20 0.34
GAA P10253 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34

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
SCHEMBL756111 0.81 USP7 (0.43) USP7AKT1AKT2MAPTALDH1A1
SCHEMBL756109 0.73 PIK3CD (0.41) USP7AKT1AKT2MAPTALDH1A1
SCHEMBL7673469 0.72 CDK2 (0.57) USP7AKT1AKT2CDK2MEN1
SCHEMBL755266 0.70 USP7 (0.38) USP7AKT1AKT2MAP3K14
SCHEMBL1318629 0.69 AKT1 (0.53) USP7AKT1AKT2CDK2PIK3CA
SCHEMBL30218059 0.69 AKT1 (0.51) USP7AKT1AKT2CDK2ALDH1A1
SCHEMBL7467961 0.66 AKT1 (0.56) USP7AKT1AKT2CDK2
SCHEMBL15910846 0.62 MAP3K14 (0.40) USP7AKT1AKT2CDK2ALDH1A1
SCHEMBL1016773 0.62 MAPT (0.67) MAPTALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL18745789 0.62 MAPT (0.67) MAPTALDH1A1SMN1; SMN2MEN1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed