SCHEMBL7876265

SCHEMBL7876265

Nc1cc(-c2cnc3ccccc3c2)nc2c(-c3cn[nH]c3)cnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
CHEK1 O14757 2/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
CSNK2A1 P68400 2/20 0.41

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
SCHEMBL6893210 0.96 KDM4E (0.43) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL6894246 0.85 MEN1 (0.43) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL10234081 0.85 TRPA1 (0.42) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL6894598 0.82 CSNK2A1 (0.41) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL6893201 0.82 PIM1 (0.41) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL6893465 0.81 PIK3CA (0.39) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL6894058 0.81 MAPT (0.50) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL6893199 0.80 MAPT (0.47) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL6893413 0.79 MAPT (0.44) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL10234075 0.79 CHEK1 (0.46) KDM4EMEN1NPC1MAPTRAB9A

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
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed