SCHEMBL30453225

SCHEMBL30453225

Cc1c(-c2cccc(F)c2)cnc(C#N)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CHEK1 O14757 3/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GRM5 P41594 1/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.36
KDR P35968 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAP4K4 O95819 1/20 0.36
EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL24257730 1.00 NPSR1 (0.41) NPSR1KDM4EHPGDRXFP1CHEK1
SCHEMBL30454648 0.86 DHFR (0.44) KDM4EHPGDADORA2BADORA1ADORA2A
SCHEMBL24257731 0.86 LRRK2 (0.42) KDM4EHPGDCYP11B1CYP11B2GABRG2
SCHEMBL24257698 0.86 DHFR (0.44) KDM4EHPGDADORA2BADORA1ADORA2A
SCHEMBL24257700 0.82 BTK (0.54) NPSR1KDM4EHPGDRXFP1ADORA2B
SCHEMBL30453695 0.82 BTK (0.54) NPSR1KDM4EHPGDRXFP1ADORA2B
SCHEMBL24257773 0.80 BTK (0.44) NPSR1HPGDADORA1ADORA2AL3MBTL1
SCHEMBL30546851 0.78 DHFR (0.43) NPSR1KDM4EHPGDCYP11B1CYP11B2
SCHEMBL24257623 0.78 DHFR (0.43) NPSR1KDM4EHPGDCYP11B1CYP11B2
SCHEMBL24257695 0.78 KDM4E (0.45) KDM4EHPGDRXFP1CYP11B1CYP11B2

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
CN-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed