SCHEMBL17028896

SCHEMBL17028896

NCC(CF)(CF)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C19 P33261 1/20 0.38
RIPK1 Q13546 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
CA2 P00918 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
SCHEMBL15670423 0.81 MEN1 (0.48) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL20974220 0.77 KMT2A (0.49) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL20163753 0.76 MEN1 (0.53) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL250885 0.74 CES1 (0.53) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL17224201 0.74 MEN1 (0.44) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL15671115 0.72 RIPK1 (0.50) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL19205500 0.72 RIPK1 (0.50) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL17028956 0.72 MEN1 (0.42) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL17502508 0.71 MEN1 (0.44) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL8773482 0.71 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107920-B1 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES Bayer Pharma AG (DE) 2017-10-18 EP disclosed
EP-3186255-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-07-05 EP disclosed
EP-3107920-A1 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES Bayer Pharma Aktiengesellschaft (DE) 2016-12-28 EP disclosed
WO-2016030354-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-03 WO disclosed
WO-2015124544-A1 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-27 WO disclosed