SCHEMBL13634652

SCHEMBL13634652

COC1CN(c2nc(C(=O)Nc3ccc(CN4CCOCC4)cc3C(=O)N[C@H]3CCOC3)cs2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
MCHR1 Q99705 3/20 0.41
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PARP1 P09874 2/20 0.38
F10 P00742 1/20 0.38
PIM1 P11309 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AURKA O14965 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
AURKB Q96GD4 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
S1PR1 P21453 1/20 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
SCHEMBL13634851 0.96 PDE4B (0.44) PDE4BMCHR1FGFR1FGFR2FGFR3
SCHEMBL13634899 0.92 PDE4B (0.43) PDE4BMCHR1FGFR1FGFR2FGFR3
SCHEMBL13163172 0.89 MCHR1 (0.36) PDE4BMCHR1PARP1PIM1
SCHEMBL13634889 0.88 ACHE (0.42) F10KMT2AIRAK4S1PR1
SCHEMBL13634785 0.88 MAPK1 (0.43) F10KMT2ASMN1; SMN2IRAK4S1PR1
SCHEMBL13634740 0.88 MAPT (0.41) KDM4EF10KMT2AIRAK4S1PR1
SCHEMBL2772472 0.88 KMT2A (0.49) KDM4EF10KMT2AIRAK4
SCHEMBL13270599 0.87 MAPT (0.41) PDE4BKDM4EF10KMT2AIRAK4
SCHEMBL13634605 0.87 PIM1 (0.40) PDE4BMCHR1PIM1KMT2AIRAK4
SCHEMBL13270449 0.86 IRAK4 (0.36) PDE4BMCHR1PIM1KMT2AIRAK4

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed