SCHEMBL29185705

SCHEMBL29185705

FC(F)(F)c1ccc(Cn2cc(Br)c(C(F)(F)F)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 1/20 0.41
EPHB4 P54760 2/20 0.40
PARK7 Q99497 1/20 0.39
TEK Q02763 2/20 0.39
TGM2 P21980 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
KLKB1 P03952 2/20 0.37
KDR P35968 1/20 0.37
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
KDM1A O60341 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL29185654 0.84 KDM4E (0.42) KDM4EALDH1A1KMT2AHDAC1HDAC7
SCHEMBL2900590 0.83 KDM4E (0.35) KDM4EALDH1A1KMT2AKLKB1
SCHEMBL29185672 0.83 KDM4E (0.41) KDM4EALDH1A1KMT2AHDAC1HDAC7
SCHEMBL2161366 0.77 KLKB1 (0.40) KDM4EALDH1A1KMT2AKLKB1
SCHEMBL2187316 0.76
SCHEMBL30122138 0.74 KLKB1 (0.43) KDM4EALDH1A1KMT2AKLKB1
SCHEMBL24628398 0.73 KMT2A (0.59) KDM4EALDH1A1KMT2AHDAC1EPHB4
SCHEMBL18577743 0.73 HDAC1 (0.58) KDM4EALDH1A1HDAC1HDAC7EPHB4
SCHEMBL17066899 0.73 NPC1 (0.44) KDM4EALDH1A1KMT2A
SCHEMBL2186778 0.73 KDM4E (0.30) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346805-A1 PYRIMIDINE AND PYRIDINE AMINE COMPOUNDS AND USAGE THEREOF IN DISEASE TREATMENT Epigen Biosciences, Inc. (US) 2024-04-10 EP disclosed
CN-117500496-A Pyrimidine and pyridinamine compounds and their use in the treatment of diseases 艾匹根生物技术有限公司 2024-02-02 CN disclosed
WO-2022256075-A1 PYRIMIDINE AND PYRIDINE AMINE COMPOUNDS AND USAGE THEREOF IN DISEASE TREATMENT EPIGEN BIOSCIENCES, INC. (US) 2022-12-08 WO disclosed