SCHEMBL24373280

SCHEMBL24373280

CSc1nc(-c2ccccc2F)c2c(n1)N(C)CCC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.40
PARP1 P09874 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK14 Q16539 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.35
HPGD P15428 2/20 0.35
MBNL1 Q9NR56 1/20 0.35
MAPT P10636 3/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL24373282 0.79 TNKS (0.41) TNKSPARP1TNKS2KDM4EMAPK14
SCHEMBL24373805 0.74 HTR2A (0.48) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL24373281 0.74 HTR7 (0.38) ALDH1A1MAPK14MBNL1
SCHEMBL29478998 0.74 HTR7 (0.38) ALDH1A1MAPK14MBNL1
SCHEMBL29478818 0.73 CTSA (0.32) ALDH1A1MAPK14SMN1; SMN2HPGDMAPT
SCHEMBL24373286 0.73 CTSA (0.32) ALDH1A1MAPK14SMN1; SMN2HPGDMAPT
SCHEMBL3530385 0.71 MAPK14 (0.38) KDM4EALDH1A1MAPK14
SCHEMBL29478904 0.71 HTR7 (0.42) PARP1ALDH1A1MAPK14MBNL1
SCHEMBL24373057 0.71 HTR7 (0.42) PARP1ALDH1A1MAPK14MBNL1
SCHEMBL29479084 0.70 MAPT (0.33) KDM4EALDH1A1MAPK14SMN1; SMN2MAPT

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
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 WO disclosed