SCHEMBL467810

SCHEMBL467810

CN(C)C1CCN(C/C=C/c2ccc(-n3nc(N)nc3N)cn2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.33
PTPN11 Q06124 1/20 0.32
ABL1 P00519 2/20 0.32
LCK P06239 2/20 0.32
FYN P06241 2/20 0.32
YES1 P07947 2/20 0.32
LYN P07948 2/20 0.32
RET P07949 2/20 0.32
FGR P09769 2/20 0.32
SRC P12931 2/20 0.32
FRK P42685 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
BLK P51451 1/20 0.31
MAP4K4 O95819 1/20 0.31
INSR P06213 1/20 0.30
AXL P30530 1/20 0.30
KDR P35968 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL467811 1.00 GRIN2B (0.33) GRIN2BPTPN11ABL1LCKFYN
SCHEMBL27901894 0.94 INSR (0.33) GRIN2BMAP4K4INSRAXLKDR
SCHEMBL27789441 0.85 MAPT (0.37) KDM4EALDH1A1LMNATSHR
SCHEMBL27901893 0.85 LTA4H (0.34) GRIN2BAXLKDM4EALDH1A1LMNA
SCHEMBL28039255 0.84 APP (0.34) GRIN2BAXLKDM4EALDH1A1LMNA
SCHEMBL27789436 0.84 APP (0.34) GRIN2BAXLKDM4EALDH1A1LMNA
SCHEMBL28823410 0.84 GPR4 (0.37) GRIN2B
SCHEMBL27919676 0.84 GPR4 (0.37) GRIN2B
SCHEMBL28784755 0.83 ACVR1 (0.33) GRIN2BKDM4E
SCHEMBL27768013 0.83 ACVR1 (0.33) GRIN2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622246-A Polycyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2010-01-06 CN claimed
EP-2387395-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8040491-B2 Exposure method, substrate stage, exposure apparatus, and device manufacturing method NIKON CORPORATION (JP) 2011-10-18 US disclosed
CN-101622246-A Polycyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2010-01-06 CN disclosed