SCHEMBL20351968

SCHEMBL20351968

CNc1cc(-c2cnn(CC3CN(C(=O)CCN(C)C)C3)c2)ccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 12/20 0.71
▸ MET P08581 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ RET P07949 2/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ CRHR1 P34998 1/20 0.33

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
SCHEMBL21571639 0.83 PAICS (1.00) PAICS
SCHEMBL21571620 0.66 PAICS (0.73) PAICS
SCHEMBL20352046 0.65 PAICS (0.49) PAICSMET
SCHEMBL20350481 0.62 PAICS (1.00) PAICS
SCHEMBL15884971 0.61 PIM2 (0.40) PAICSMETBRD4CREBBPFGFR1
SCHEMBL19005196 0.60 PIK3CD (0.55) PAICSCREBBPFGFR1TTK
SCHEMBL24491469 0.60 CHRNB2 (0.41) PAICS
SCHEMBL24026955 0.60 PIK3CD (0.39) PAICSTTK
SCHEMBL16721702 0.58 BRD4 (0.47) PAICSBRD4CREBBPFGFR1
SCHEMBL22919044 0.58 USP30 (0.46) —

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-2018122550-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2018-07-05 — — WO disclosed
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