SCHEMBL20141444

SCHEMBL20141444

N#Cc1ccccc1-c1nc2n(n1)CCNC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.59
CD274 Q9NZQ7 3/20 0.59
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
TGFBR1 P36897 2/20 0.34
USP30 Q70CQ3 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL15933524 0.77 PDCD1 (0.50) PDCD1CD274CYP3A4TLR8TLR7
SCHEMBL15933521 0.76 PDCD1 (0.69) PDCD1CD274LMNAMAPTHPGD
SCHEMBL15933691 0.75 PDCD1 (0.55) PDCD1CD274CYP1A2CYP3A4LMNA
SCHEMBL19549671 0.74 CD274 (1.00) PDCD1CD274LMNAMAPTTLR8
SCHEMBL15933680 0.72 PDCD1 (0.46) PDCD1CD274KDM4EKMT2ATLR8
SCHEMBL505515 0.71 PDCD1 (0.53) PDCD1CD274KDM4ELMNAKMT2A
SCHEMBL24689593 0.70 PDCD1 (0.41) PDCD1CD274TLR8TLR7
SCHEMBL15933623 0.70 PDCD1 (0.44) PDCD1CD274TLR8TLR7
SCHEMBL15933689 0.69 PDCD1 (0.51) PDCD1CD274TLR8TLR7SLC6A2
SCHEMBL5112559 0.69 PDCD1 (0.53) PDCD1CD274TLR8TLR7

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed