SCHEMBL28024938

SCHEMBL28024938

N#Cc1ncccc1-c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CYP11B1 P15538 2/20 0.41
SQOR Q9Y6N5 1/20 0.38
CYP11B2 P19099 2/20 0.38
CYP19A1 P11511 1/20 0.38
GRM5 P41594 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PDE5A O76074 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37

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
SCHEMBL1008743 0.86 ALOX15 (0.44) PRMT5WDR77CYP11B1GRM5PTGS1
SCHEMBL18421684 0.83 PRMT5 (0.41) PRMT5WDR77CYP11B1CYP11B2GRM5
SCHEMBL17116599 0.83 PRMT5 (0.47) PRMT5WDR77CYP11B1SQORCYP11B2
SCHEMBL7679638 0.81 ERBB2 (0.45) PRMT5WDR77CYP11B2GRM5KDM4E
SCHEMBL17116724 0.81 PRMT5 (0.43) PRMT5WDR77CYP11B1SQORCYP11B2
SCHEMBL3711809 0.81 KDM4E (0.45) PRMT5WDR77SQORCYP11B2LMNA
SCHEMBL29883865 0.81 CYP11B2 (0.51) CYP11B1CYP11B2CYP19A1LMNAKDM4E
SCHEMBL14735824 0.81 CYP11B2 (0.51) CYP11B1CYP11B2CYP19A1LMNAKDM4E
SCHEMBL22290166 0.81 ERBB2 (0.45) PRMT5WDR77CYP11B1CYP11B2GRM5
SCHEMBL2474360 0.81 ESR2 (0.53) PRMT5WDR77CYP11B2ADORA2AADORA1

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
CN-104755471-A Pyridine derivative and drug NIPPON SHINYAKU CO LTD 2015-07-01 CN disclosed