SCHEMBL17607192

SCHEMBL17607192

CCc1ccncc1NC(=O)c1ccc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.45
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.40
SCN9A Q15858 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39
LMNA P02545 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
SCHEMBL17607258 0.91 KCNMA1 (0.42) KCNMA1IKBKETBK1KDM4DKDM4C
SCHEMBL17607158 0.82 GSK3B (0.51) KDM4EPOLBLMNA
SCHEMBL17607208 0.80 MAPT (0.49) KCNMA1KDM4EPOLB
SCHEMBL20732522 0.75 KDM4C (0.44) KDM4C
SCHEMBL17607253 0.74 PIM1 (0.57)
SCHEMBL17607182 0.71 L3MBTL1 (0.53) KCNMA1KDM4EPOLBLMNA
SCHEMBL13178917 0.70 KDM4C (0.40) KDM4C
SCHEMBL20265861 0.70 MAPK7 (0.60)
SCHEMBL13506055 0.69 HPGD (0.62) KCNMA1KDM4CKDM4EPOLBLMNA
SCHEMBL4525537 0.69 SCN9A (0.57) IKBKETBK1TMIGD3ADORA1KDM4E

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
EP-3194390-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5 Cancer Research Technology Ltd (GB) 2017-07-26 EP claimed
WO-2016042341-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-03-24 WO claimed