SCHEMBL28050256

SCHEMBL28050256

O=C(O)CNCC(=O)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
CRHR1 P34998 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR1 O14842 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRNA7 P36544 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
SORT1 Q99523 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ANO1 Q5XXA6 1/20 0.41

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
SCHEMBL2483079 0.81 JAK2 (0.56) JAK2JAK1TYK2ALDH1A1MRGPRX4
SCHEMBL27643680 0.77 JAK2 (0.50) JAK2JAK1TYK2ALDH1A1KMT2A
SCHEMBL1198647 0.77 PTPN1 (0.54) JAK2JAK1TYK2ALDH1A1KMT2A
SCHEMBL78221 0.76 MRGPRX4 (0.61) JAK2JAK1TYK2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL15732642 0.76 JAK2 (0.49) JAK2JAK1TYK2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL18861026 0.75 MRGPRX4 (0.59) JAK2JAK1TYK2ALDH1A1KMT2A
SCHEMBL10658142 0.74 JAK2 (0.56) JAK2JAK1TYK2ALDH1A1KMT2A
SCHEMBL24073216 0.74 ALDH1A1 (0.62) JAK2JAK1TYK2ALDH1A1KMT2A
SCHEMBL29405924 0.74 JAK2 (0.47) JAK2JAK1TYK2ALDH1A1KMT2A
SCHEMBL13730810 0.74 JAK2 (0.47) JAK2JAK1TYK2ALDH1A1KMT2A

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
CN-102317278-B 4-azetidinyl-1-heteroaryl-hexalin the antagonist of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2016-01-06 CN disclosed