SCHEMBL30907243

SCHEMBL30907243

Cc1cc(CC#N)ncc1Br

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CSNK2A1 P68400 3/20 0.34
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
PDE2A O00408 1/20 0.32
HTT P42858 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL6486053 0.76 HCRTR1 (0.37) MAPTHCRTR1HCRTR2PDE2APOLB
SCHEMBL16804955 0.75 DHFR (0.38) MAPTHCRTR1HCRTR2PDE2A
SCHEMBL30907645 0.75 HCRTR1 (0.34) MAPTHCRTR1HCRTR2PDE2A
SCHEMBL15142441 0.74 AXL (0.35) MEN1MAPTKMT2ACSNK2A1HTT
SCHEMBL153228 0.72 CHEK1 (0.41) HTT
SCHEMBL25826358 0.72 MEN1 (0.44) MEN1MAPTKMT2A
SCHEMBL30736092 0.72 MEN1 (0.44) MEN1MAPTKMT2A
SCHEMBL19502144 0.72 RECQL (0.33) HTTPOLB
SCHEMBL16783064 0.72 ALDH1A1 (0.33) MAPTHCRTR1HCRTR2PDE2A
SCHEMBL27862145 0.70 HCRTR1 (0.34) HCRTR1HCRTR2PDE2A

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-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed