SCHEMBL4783773

SCHEMBL4783773

NC(=O)c1ccn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
RIPK2 O43353 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
FGFR1 P11362 1/20 0.39
PLA2G10 O15496 1/20 0.39
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
BCAT2 O15382 1/20 0.37
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
DDB1 Q16531 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
SCHEMBL30038558 0.80 MEN1 (0.51) NOTUMSMN1; SMN2MAPTPOLBKDM4E
SCHEMBL28037281 0.77 NOTUM (0.51) NOTUMSMN1; SMN2MAPTPOLBMAPK1
Trifluoroacetic Acid SCHEMBL28285384 0.77 NOTUM (0.42) NOTUMSMN1; SMN2MAPTPOLBMAPK1
SCHEMBL9837450 0.77 MAPK1 (0.43) SMN1; SMN2MAPTPOLBMAPK1KDM4E
SCHEMBL10719764 0.75 NOTUM (0.49) NOTUMSMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL10364977 0.73 MAPT (0.78) SMN1; SMN2MAPTPOLBMAPK1KDM4E
SCHEMBL29843451 0.73 FGFR1 (0.46) SMN1; SMN2MAPTPOLBKDM4EALDH1A1
SCHEMBL28267150 0.72 MAPK1 (0.50) NOTUMSMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL3433959 0.71 NOTUM (0.49) NOTUMSMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL1396731 0.69 MAPK1 (0.58) NOTUMSMN1; SMN2MAPTPOLBMAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-4317133-B1 CRYSTALLINE FORM OF PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2026-04-15 EP disclosed
EP-4317133-A1 CRYSTALLINE FORM OF PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2024-02-07 EP disclosed
WO-2022228215-A1 PREPARATION METHOD FOR PYRROLE AMIDE COMPOUND 广东东阳光药业有限公司 2022-11-03 WO disclosed
WO-2022206666-A1 CRYSTALLINE FORM OF PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 广东东阳光药业有限公司 2022-10-06 WO disclosed