SCHEMBL29847699

SCHEMBL29847699

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc4cccc(-c5ccccc5)c4n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.62
▸ JAK3 P52333 3/20 0.62
▸ CCND3 P30281 2/20 0.60
▸ CDK2 P24941 2/20 0.60
▸ CCNK O75909 1/20 0.60
▸ CCNA2 P20248 1/20 0.60
▸ CDK9 P50750 1/20 0.60
▸ CDK6 Q00534 1/20 0.60
▸ EGFR P00533 1/20 0.59
▸ BRD4 O60885 1/20 0.57
▸ MAPK10 P53779 2/20 0.53
▸ JUN P05412 1/20 0.53
▸ MAPK8 P45983 1/20 0.53
▸ PTK2 Q05397 3/20 0.53
▸ FGFR2 P21802 1/20 0.53
▸ TTK P33981 3/20 0.51
▸ CDK4 P11802 2/20 0.51
▸ CCND1 P24385 2/20 0.51
▸ CCND2 P30279 1/20 0.51
▸ SYK P43405 1/20 0.51

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
SCHEMBL16514118 1.00 JAK2 (0.62) JAK2JAK3CCND3CDK2CCNK
SCHEMBL16513586 0.91 EGFR (0.59) JAK2JAK3CCND3CDK2CCNK
SCHEMBL16513819 0.91 EGFR (0.59) JAK2JAK3CCND3CDK2CCNK
SCHEMBL29848021 0.91 EGFR (0.59) JAK2JAK3CCND3CDK2CCNK
SCHEMBL29847649 0.91 EGFR (0.59) JAK2JAK3CCND3CDK2CCNK
SCHEMBL16513502 0.90 CCND3 (0.65) JAK2JAK3CCND3CDK2CCNK
SCHEMBL16513933 0.90 CDK2 (0.58) JAK2JAK3CCND3CDK2CCNK
SCHEMBL21155529 0.87 CDK2 (0.68) JAK2JAK3CCND3CDK2CCNK
SCHEMBL16513575 0.85 CCND3 (0.57) JAK2JAK3CCND3CDK2CCNK
SCHEMBL29576058 0.84 JAK2 (0.63) JAK2JAK3CCND3EGFRBRD4

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-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
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