SCHEMBL3936623

SCHEMBL3936623

COC(=O)c1cccc(Cn2cccc2C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
IDO1 P14902 1/20 0.48
MRGPRX4 Q96LA9 3/20 0.47
ADORA2A P29274 1/20 0.47
ABHD6 Q9BV23 1/20 0.46
YTHDC1 Q96MU7 1/20 0.45
SLC7A5 Q01650 1/20 0.45
CD74 P04233 1/20 0.45
MIF P14174 1/20 0.45
MAPK10 P53779 1/20 0.45
OPRD1 P41143 1/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7261947 0.79 EGLN1 (0.60) LOXL2CYP4F2CYP4A11IDO1ABHD6
SCHEMBL7261844 0.78 ABHD6 (0.52) LOXL2CYP4F2CYP4A11IDO1ABHD6
SCHEMBL7830882 0.76 LOXL2 (0.62) LOXL2CYP4F2CYP4A11IDO1MRGPRX4
SCHEMBL7826960 0.75 TP53 (0.48) LOXL2CYP4F2CYP4A11MRGPRX4MAPT
SCHEMBL25393061 0.75 KDM4E (0.52) MRGPRX4MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL29539688 0.74 LOXL2 (0.64) LOXL2CYP4F2CYP4A11IDO1MRGPRX4
SCHEMBL40562 0.74 LOXL2 (0.64) LOXL2CYP4F2CYP4A11IDO1MRGPRX4
SCHEMBL6085688 0.73 HDAC1 (0.54) LOXL2CYP4F2CYP4A11IDO1ABHD6
SCHEMBL23749739 0.72 LOXL2 (0.51) LOXL2CYP4F2CYP4A11IDO1ABHD6
SCHEMBL2849191 0.72 CYP4F2 (0.68) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5

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
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed