SCHEMBL29944853

SCHEMBL29944853

CCc1nc(C(=O)OC)c(Cl)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 6/20 0.38
S1PR4 O95977 1/20 0.37
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 2/20 0.35
DHFR P00374 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34

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
SCHEMBL25808937 1.00 NPSR1 (0.48) NPSR1L3MBTL1S1PR4ALDH1A1SMN1; SMN2
SCHEMBL2183292 0.82 NPSR1 (0.58) NPSR1L3MBTL1S1PR4ALDH1A1SMN1; SMN2
SCHEMBL25808946 0.79 TDP1 (0.38) ALDH1A1SMN1; SMN2DHFRGABRPGABRD
SCHEMBL25808958 0.79 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25808963 0.78 SMN1; SMN2 (0.36) NPSR1L3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20302593 0.77 NPSR1 (0.52) NPSR1L3MBTL1S1PR4ALDH1A1SMN1; SMN2
SCHEMBL282566 0.77 POLB (0.35) L3MBTL1ALDH1A1KDM4EGABRPGABRD
SCHEMBL29452887 0.77 POLB (0.35) L3MBTL1ALDH1A1KDM4EGABRPGABRD
SCHEMBL11730515 0.75 NPSR1 (0.54) NPSR1L3MBTL1S1PR4ALDH1A1SMN1; SMN2
SCHEMBL1424219 0.74 NPSR1 (0.44) NPSR1L3MBTL1S1PR4ALDH1A1SMN1; SMN2

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
CN-118829631-A Pyrazine compounds as FLT3 inhibitors 拜欧米富士恩公司 2024-10-22 CN disclosed
CN-115124590-B PROTAC compounds for targeted degradation of FLT3-ITD mutant proteins, and preparation method and application thereof 武汉大学中南医院 2024-10-22 CN disclosed
CN-115124590-A PROTAC compound for targeted degradation of FLT3-ITD mutant protein and preparation method and application thereof 武汉大学中南医院 2022-09-30 CN disclosed