SCHEMBL6996918

SCHEMBL6996918

Cc1cc(F)ccc1Nc1nc(C)c(C)c(N2CCc3ccccc3C2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.42
CHRM3 P20309 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NR2F2 P24468 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
PLA2G1B P04054 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
GRIN2D O15399 6/20 0.38
GRIN3B O60391 6/20 0.38
GRIN1 Q05586 6/20 0.38

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
Hydrochloric Acid SCHEMBL6990621 0.99 AXL (0.41) AXLCHRM3PDE4APDE4BPDE4C
SCHEMBL6996668 0.88 AXL (0.40) AXLCHRM3PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL6992368 0.87 AXL (0.39) AXLCHRM3PDE4APDE4BPDE4C
SCHEMBL6991702 0.87 CHRM3 (0.46) CHRM3PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6990935 0.86 CHRM3 (0.45) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL7817704 0.86 HPGD (0.46) KDM4EPOLBMAPTNR2F2MAPK1
SCHEMBL6998551 0.85 GRIN2D (0.43) AXLKDM4EPOLBMAPTNR2F2
Hydrochloric Acid SCHEMBL7824694 0.85 LMNA (0.48) KDM4EPOLBMAPTMAPK1RAB9A
Hydrochloric Acid SCHEMBL6969212 0.85 CHRM3 (0.39) AXLCHRM3PDE4APDE4BPDE4C
SCHEMBL6997622 0.85 MEN1 (0.45) CHRM3PDE4APDE4BPDE4CPDE4D

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
EP-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP claimed