SCHEMBL30254597

SCHEMBL30254597

COC(=O)c1cccc(Br)c1NC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.44
PDK1 Q15118 2/20 0.44
PDK3 Q15120 2/20 0.44
PDK4 Q16654 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.40
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SLC6A3 Q01959 1/20 0.39
NOTUM Q6P988 1/20 0.39
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL23885473 1.00 PDK2 (0.44) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL23885494 0.82 L3MBTL1 (0.47) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL23885408 0.81 CYP1A2 (0.50) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL30254662 0.81 CYP1A2 (0.50) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL23885579 0.79 PDK1 (0.53) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL23885415 0.78 PDK1 (0.49) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL30997533 0.78 PDK1 (0.38) PDK2PDK1PDK3PDK4KMT2A
SCHEMBL306012 0.78 MEN1 (0.46) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL17824803 0.78 KDM4E (0.53) PDK2PDK4KMT2AF2MAPT
SCHEMBL28429236 0.78 F2R (0.51) KMT2AF2MAPTALDH1A1MEN1

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
EP-4125914-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed