SCHEMBL24196207

SCHEMBL24196207

CNC(=O)c1ccn(-c2ccc(N)c(F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACKR3 P25106 1/20 0.38
MALT1 Q9UDY8 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KAT6A Q92794 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 2/20 0.35
SCN10A Q9Y5Y9 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
SCHEMBL23166003 0.84 KDM4E (0.46) HDAC1HDAC6KDM4EL3MBTL1
SCHEMBL30104774 0.84 KDM4E (0.46) HDAC1HDAC6KDM4EL3MBTL1
SCHEMBL23205995 0.83 KMT2A (0.41) HDAC1HDAC6KAT6A
SCHEMBL24196386 0.82 MALT1 (0.37) HDAC1HDAC6ACKR3MALT1KAT6A
SCHEMBL31316774 0.76 GAA (0.42) KAT6APARP1
SCHEMBL23166193 0.76 BAZ2B (0.36) ACKR3MALT1NFKB1NFKB2RELA
SCHEMBL15401858 0.74 MAPT (0.54) MALT1L3MBTL1
SCHEMBL3833826 0.74 HTT (0.47) KAT6AKDM4EL3MBTL1
SCHEMBL23701920 0.72 CYP3A4 (0.38) HDAC1HDAC6
Hydrochloric Acid SCHEMBL18315829 0.72 KMT2A (0.35) ACKR3KAT6AKDM4E

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