SCHEMBL24196283

SCHEMBL24196283

CCOc1cc(-c2ccc(N)c(F)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KIT P10721 1/20 0.39
AAK1 Q2M2I8 7/20 0.39
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL24196453 0.88 HSD17B10 (0.45) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL24196194 0.84 KIT (0.47) ALDH1A1MEN1KMT2AHSD17B10KIT
SCHEMBL24195978 0.84 CHEK1 (0.42) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL22001270 0.76 MAP4K4 (0.50) ALDH1A1KITAAK1PIK3CBDYRK1A
SCHEMBL22347554 0.75 CYP3A4 (0.50) ALDH1A1MAPK1MEN1CYP11B1CYP11B2
SCHEMBL21044419 0.74 PIM2 (0.51) CYP11B1CYP11B2
SCHEMBL1336962 0.74 MAP4K4 (0.53) ALDH1A1MAPK1MEN1KMT2AKDM4E
Benzene SCHEMBL27860902 0.74 NPC1 (0.49) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL21044415 0.74 CYP11B1 (0.66) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL24196485 0.73 KDM4E (0.44) ALDH1A1MAPK1MEN1KMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed