SCHEMBL30379442

SCHEMBL30379442

C=C(C(N)=O)c1cc(N2CCN(CC)CC2)ccc1Nc1ncc(C#N)c(NC2CCN(C(C)=O)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 7/20 0.50
▸ ALK Q9UM73 12/20 0.47
▸ IGF1R P08069 2/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ AURKA O14965 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ RET P07949 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ LTK P29376 1/20 0.45

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
SCHEMBL28953574 0.89 ALK (0.53) ALKIGF1RCDK2
SCHEMBL21600758 0.86 MAPK3 (0.54) ALKJAK3PTK2BTK
SCHEMBL30379344 0.86 MAPK3 (0.54) ALKJAK3PTK2BTK
SCHEMBL30379391 0.84 LRRK2 (0.49) SYKALKIGF1RAURKADAPK3
SCHEMBL21600782 0.84 ALK (0.49) ALKIGF1RCDK2
SCHEMBL28525616 0.83 WEE1 (0.57) SYKALKIGF1RCDK2AURKA
SCHEMBL30380226 0.81 SLC2A1 (0.49) ALKIGF1RCDK2AURKADAPK3
SCHEMBL28546133 0.81 SLC2A1 (0.49) ALKIGF1RCDK2AURKADAPK3
SCHEMBL28910559 0.81 SYK (0.44) SYKALKIGF1RAURKADAPK3
SCHEMBL30379613 0.81 SYK (0.44) SYKALKIGF1RAURKADAPK3

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-112313207-B Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2023-02-14 — — CN disclosed
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