SCHEMBL30788218

SCHEMBL30788218

CNC(=O)c1ccc(Nc2nc(-c3ccc(C(=O)NCC#N)cc3)c3cc[nH]c3n2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 8/20 0.48
▸ PTK2 Q05397 7/20 0.47
▸ JAK2 O60674 7/20 0.44
▸ JAK3 P52333 7/20 0.44
▸ AURKA O14965 3/20 0.44
▸ DAPK3 O43293 3/20 0.44
▸ PAK4 O96013 3/20 0.44
▸ RET P07949 3/20 0.44
▸ LTK P29376 3/20 0.44
▸ KDR P35968 3/20 0.44
▸ MAP2K2 P36507 3/20 0.44
▸ MAPK8 P45983 3/20 0.44
▸ MAPK9 P45984 3/20 0.44
▸ CLK2 P49760 3/20 0.44
▸ RPS6KA3 P51812 3/20 0.44
▸ CDK5 Q00535 3/20 0.44
▸ MAP2K1 Q02750 3/20 0.44
▸ MST1R Q04912 3/20 0.44
▸ MAP4K2 Q12851 3/20 0.44
▸ ROCK1 Q13464 3/20 0.44

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
SCHEMBL27387027 0.81 JAK1 (0.47) JAK1PTK2JAK2JAK3LRRK2
SCHEMBL30788214 0.81 JAK1 (0.47) JAK1PTK2JAK2JAK3LRRK2
SCHEMBL30788192 0.77 JAK2 (0.70) JAK1JAK2JAK3MAPK8MAPK9
SCHEMBL30788200 0.76 JAK1 (0.46) JAK1PTK2JAK2JAK3AURKA
SCHEMBL27387022 0.75 JAK2 (0.57) JAK1PTK2JAK2JAK3AURKA
SCHEMBL30788193 0.75 JAK2 (0.57) JAK1PTK2JAK2JAK3AURKA
SCHEMBL14547717 0.73 LRRK2 (0.62) PTK2JAK2JAK3AURKADAPK3
SCHEMBL30788206 0.72 JAK2 (0.45) JAK1JAK2JAK3LRRK2
SCHEMBL27388538 0.72 JAK2 (0.45) JAK1JAK2JAK3LRRK2
SCHEMBL27387789 0.70 BTK (0.65) JAK1JAK2JAK3RPS6KA3ROCK2

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-2024035771-A2 ULK3 INHIBITORS AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-02-15 — — WO disclosed
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