SCHEMBL25336331

SCHEMBL25336331

Nc1ccc(-c2cc(Cc3ccccc3)n[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 2/20 0.43
CDC7 O00311 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
KDR P35968 1/20 0.43
GSK3B P49841 1/20 0.43
AURKB Q96GD4 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
RAB9A P51151 4/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41

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
SCHEMBL28114539 0.89 RAB9A (0.53) MKNK2CDC7JAK2ROCK2MAP4K4
SCHEMBL25337392 0.79 MAPT (0.51) CDK2RAB9APOLBMAPTNPC1
SCHEMBL27789789 0.78 RAB9A (0.46) CDC7RAB9APOLBNPC1SMN1; SMN2
SCHEMBL956156 0.76 CDC7 (0.43) MKNK2CDC7JAK2ROCK2MAP4K4
SCHEMBL6597674 0.76 HPGDS (0.53) PIM1CLK4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8691392 0.76 CA2 (0.54) CDK2
SCHEMBL28562593 0.76 SMN1; SMN2 (0.54) KDRRAB9APOLBMAPTNPC1
Hydrochloric Acid SCHEMBL1194018 0.75 HPGDS (0.52) PIM1CLK4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16746748 0.74 MPO (0.46) MKNK2CDC7JAK2ROCK2MAP4K4
SCHEMBL3842147 0.73 RAB9A (0.79) RAB9APOLBL3MBTL1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472959-A1 SMO MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2024-12-11 EP disclosed
WO-2023148481-A1 SMO MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2023-08-10 WO disclosed
WO-2023148481-A1 SMO MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2023-08-10 WO disclosed