SCHEMBL28216784

SCHEMBL28216784

O=C(O)CCNc1nc(Cl)ncc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 3/20 0.53
STK17B O94768 2/20 0.53
SIRT5 Q9NXA8 4/20 0.48
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 1/20 0.36
CSNK2A2 P19784 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
SCHEMBL10229480 0.86 STK17A (0.55) STK17ASTK17BSIRT5L3MBTL1ALDH1A1
SCHEMBL27635199 0.84 SIRT5 (0.46) STK17ASTK17BSIRT5KMT2AKDM4E
SCHEMBL5246243 0.83 STK17B (0.49) STK17ASTK17BSIRT5KDM4ECA12
SCHEMBL2060563 0.83 STK17A (0.53) STK17ASTK17BSIRT5L3MBTL1ALDH1A1
SCHEMBL25231087 0.82 JAK3 (0.43) STK17ASTK17BSIRT5KMT2AKDM4E
SCHEMBL30800589 0.81 KMT2A (0.46) STK17ASTK17BSIRT5KMT2AKDM4E
SCHEMBL27087775 0.81 KMT2A (0.46) STK17ASTK17BSIRT5KMT2AKDM4E
SCHEMBL21352288 0.80 STK17A (0.63) STK17ASTK17BSIRT5
SCHEMBL21352293 0.80 STK17A (0.67) STK17ASTK17BSIRT5
SCHEMBL1938460 0.80 STK17A (0.51) STK17ASTK17BKDM4EL3MBTL1ALDH1A1

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-105399686-B Pyrimidine derivatives, its preparation method and its application 深圳微芯生物科技有限责任公司 2018-05-22 CN disclosed