SCHEMBL29614980

SCHEMBL29614980

Nc1ccc(-c2cccc3cn[nH]c23)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
LTK P29376 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
FLT3 P36888 1/20 0.46
CSNK1A1 P48729 1/20 0.46
PRKX P51817 1/20 0.46
CDK5 Q00535 1/20 0.46
MAP2K1 Q02750 1/20 0.46
MST1R Q04912 1/20 0.46
PTK2 Q05397 1/20 0.46
BTK Q06187 1/20 0.46

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
SCHEMBL23198277 1.00 MAP4K4 (0.46) MAP4K4PLK4CHEK1AURKADAPK3
SCHEMBL29615084 0.79 NOS1 (0.46) MAP4K4PLK4CHEK1AURKADAPK3
SCHEMBL23198253 0.79 NOS1 (0.46) MAP4K4PLK4CHEK1AURKADAPK3
SCHEMBL3064844 0.77 NOS1 (0.63) MAP4K4PLK4CHEK1AURKADAPK3
SCHEMBL4752843 0.76 NOS1 (0.53) MAP4K4PLK4CHEK1AURKADAPK3
SCHEMBL23198266 0.76 NOS1 (0.46) MAP4K4PLK4CHEK1AURKADAPK3
SCHEMBL29614917 0.76 NOS1 (0.46) MAP4K4PLK4CHEK1AURKADAPK3
SCHEMBL23198231 0.75 METAP2 (0.61) MAP4K4AURKACSF1RKDRFLT3
SCHEMBL29614992 0.75 METAP2 (0.61) MAP4K4AURKACSF1RKDRFLT3
SCHEMBL23221345 0.75 CDK5 (0.40) MAP4K4PLK4CHEK1AURKADAPK3

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
CN-109803963-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-04-26 CN disclosed