SCHEMBL17607258

SCHEMBL17607258

CCCc1ccncc1NC(=O)c1ccc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
ITK Q08881 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.38
SCN9A Q15858 1/20 0.37
TAS2R8 Q9NYW2 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
SCHEMBL17607192 0.91 KCNMA1 (0.45) KCNMA1TRPV1IKBKETBK1TMIGD3
SCHEMBL17607158 0.79 GSK3B (0.51) KDM4EPOLB
SCHEMBL17607208 0.77 MAPT (0.49) KCNMA1KDM4EPOLB
SCHEMBL20265692 0.72 MAPK7 (0.66)
SCHEMBL20265879 0.72 MAPK7 (0.57)
SCHEMBL17607253 0.72 PIM1 (0.57)
SCHEMBL17607182 0.68 L3MBTL1 (0.53) KCNMA1KDM4EPOLB
SCHEMBL2781925 0.68 KDM4E (0.61) KDM4EPOLB
SCHEMBL16257955 0.68 AOC1 (0.65) KDM4C
SCHEMBL19781497 0.67 AOC1 (0.53) KDM4C

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