SCHEMBL13634851

SCHEMBL13634851

COC1CN(c2nc(C(=O)Nc3ccc(CN4CCOCC4)cc3C(=O)NC3CCOCC3)cs2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.44
MCHR1 Q99705 5/20 0.43
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIM1 P11309 2/20 0.41
AURKA O14965 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
AURKB Q96GD4 1/20 0.41
DNM1L O00429 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL13634652 0.96 PDE4B (0.41) PDE4BMCHR1FGFR1FGFR2FGFR3
SCHEMBL13634899 0.96 PDE4B (0.43) PDE4BMCHR1FGFR1FGFR2FGFR3
SCHEMBL13634605 0.90 PIM1 (0.40) PDE4BMCHR1KMT2APIM1DNM1L
SCHEMBL13634889 0.90 ACHE (0.42) KMT2AF10
SCHEMBL13634785 0.90 MAPK1 (0.43) KMT2ASMN1; SMN2F10
SCHEMBL2772472 0.90 KMT2A (0.49) KDM4EKMT2AF10
SCHEMBL13634740 0.90 MAPT (0.41) KDM4EKMT2AF10
SCHEMBL13270599 0.89 MAPT (0.41) PDE4BKDM4EKMT2AF10
SCHEMBL13164111 0.89 MCHR1 (0.38) PDE4BMCHR1FGFR1FGFR2FGFR3
SCHEMBL13634757 0.88 MAPT (0.40) PDE4BKDM4EKMT2AF10

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