SCHEMBL30824641

SCHEMBL30824641

CCOc1nc2cc(C#N)ccc2c(C)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.42
MAPK9 P45984 3/20 0.42
MAPK10 P53779 2/20 0.42
RPS27 P42677 1/20 0.42
MMP13 P45452 1/20 0.42
S1PR3 Q99500 2/20 0.41
ROCK2 O75116 5/20 0.41
CSF1R P07333 2/20 0.40
MAPK1 P28482 2/20 0.40
PRKD2 Q9BZL6 2/20 0.40
CSNK1D P48730 1/20 0.40
P2RY12 Q9H244 1/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.38
AKT1 P31749 1/20 0.38
CSNK2A1 P68400 1/20 0.38
NTRK2 Q16620 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL20954 1.00 MAPK8 (0.42) MAPK8MAPK9MAPK10RPS27MMP13
SCHEMBL30824684 0.91 MMP13 (0.47) MMP13ROCK2MAPK1MAOB
SCHEMBL20473 0.91 MMP13 (0.47) MMP13ROCK2MAPK1MAOB
SCHEMBL20540 0.90 CTNNB1 (0.46) MAPK8MAPK9MAPK10RPS27ROCK2
SCHEMBL30824694 0.90 CTNNB1 (0.46) MAPK8MAPK9MAPK10RPS27ROCK2
SCHEMBL15478171 0.88 S1PR3 (0.44) MMP13S1PR3ROCK2HPGDKMT2A
SCHEMBL22027 0.86 S1PR3 (0.42) S1PR3ROCK2HPGDKMT2AMAOB
SCHEMBL30795220 0.86 S1PR3 (0.42) S1PR3ROCK2HPGDKMT2AMAOB
SCHEMBL21133 0.86 KDM4E (0.48) MMP13S1PR3ROCK2MAOBKDM4E
SCHEMBL30794701 0.86 KDM4E (0.48) MMP13S1PR3ROCK2MAOBKDM4E

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-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed