SCHEMBL467638

SCHEMBL467638

Nc1nc(N)n(-c2ccc(C=CCN3CCC(N4CCCC4)CC3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 7/20 0.44
CTSK P43235 1/20 0.42
LTA4H P09960 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL3 Q96JM7 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2B Q13224 2/20 0.34
MBTD1 Q05BQ5 1/20 0.34
TP53BP1 Q12888 1/20 0.34
MAPK1 P28482 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL467878 0.99 GPR4 (0.46) GPR4CTSKLTA4HKDM4EALDH1A1
SCHEMBL467664 0.89 LTA4H (0.48) LTA4HKDM4EALDH1A1LMNATSHR
SCHEMBL27919676 0.86 GPR4 (0.37) GPR4CTSKL3MBTL3L3MBTL1GRIN2B
SCHEMBL28823410 0.86 GPR4 (0.37) GPR4CTSKL3MBTL3L3MBTL1GRIN2B
SCHEMBL22189937 0.85 GPR4 (0.39) GPR4CTSKL3MBTL3L3MBTL1GRIN2B
SCHEMBL27901899 0.85 GPR4 (0.39) GPR4CTSKL3MBTL3L3MBTL1GRIN2B
SCHEMBL467544 0.81 ALDH1A1 (0.38) LTA4HKDM4EALDH1A1LMNATSHR
SCHEMBL28038872 0.81 L3MBTL3 (0.56) KDM4EALDH1A1TSHRL3MBTL3L3MBTL1
SCHEMBL467818 0.79 ALDH1A1 (0.34) GPR4KDM4EALDH1A1LMNATSHR
SCHEMBL28823415 0.79 L3MBTL3 (0.61) L3MBTL3L3MBTL1MBTD1TP53BP1

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-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