SCHEMBL28655477

SCHEMBL28655477

CC(=O)Nc1cccc(-c2cnn(-c3ccc(F)cc3C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.51
BCR P11274 8/20 0.51
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 1/20 0.45
CHEK1 O14757 1/20 0.44
FGFR1 P11362 1/20 0.44
NEK2 P51955 1/20 0.44
MAPK15 Q8TD08 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
FYN P06241 2/20 0.42
USP7 Q93009 1/20 0.42
BRAF P15056 1/20 0.42
MAPK8 P45983 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
SCHEMBL28656408 0.90 SMN1; SMN2 (0.51) ABL1BCRSMN1; SMN2GAACHEK1
SCHEMBL28655500 0.84 NTRK1 (0.50) ABL1BCRSMN1; SMN2FGFR1KDM4E
SCHEMBL28669052 0.74 ALDH1A1 (0.55) SMN1; SMN2KDM4EALDH1A1MAPTNPC1
SCHEMBL28668115 0.74 LMNA (0.49) ABL1BCRALDH1A1MAPTPKM
SCHEMBL28658953 0.73 NTRK1 (0.48) ABL1BCRALDH1A1MAPTMAPK1
SCHEMBL28656138 0.72 ABL1 (0.49) ABL1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL28668103 0.72 CSNK2A1 (0.44) SMN1; SMN2CHEK1KDM4EALDH1A1MAPT
SCHEMBL182131 0.71 MEN1 (0.54) ABL1BCRNPC1RAB9A
SCHEMBL2708489 0.70 MEN1 (0.52) ABL1BCRKDM4ENPC1RAB9A
SCHEMBL28660915 0.70 FGFR3 (0.53) SMN1; SMN2KDM4EALDH1A1MAPTNPC1

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-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 CN disclosed