SCHEMBL29847649

SCHEMBL29847649

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc4cccc(-c5cccc(F)c5)c4n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.59
▸ JAK2 O60674 4/20 0.58
▸ BRD4 O60885 1/20 0.58
▸ JAK3 P52333 3/20 0.54
▸ CCND3 P30281 2/20 0.54
▸ CCNA2 P20248 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ CDK9 P50750 2/20 0.54
▸ CCNK O75909 1/20 0.54
▸ CDK6 Q00534 1/20 0.54
▸ FGFR2 P21802 1/20 0.52
▸ CDK4 P11802 2/20 0.50
▸ CCND1 P24385 2/20 0.50
▸ PTK2 Q05397 2/20 0.50
▸ CCND2 P30279 1/20 0.50
▸ FGFR1 P11362 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ MAPK10 P53779 3/20 0.49
▸ SYK P43405 1/20 0.48
▸ ALK Q9UM73 2/20 0.47

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
SCHEMBL16513819 1.00 EGFR (0.59) EGFRJAK2BRD4JAK3CCND3
SCHEMBL29847699 0.91 JAK2 (0.62) EGFRJAK2BRD4JAK3CCND3
SCHEMBL16514118 0.91 JAK2 (0.62) EGFRJAK2BRD4JAK3CCND3
SCHEMBL16513586 0.90 EGFR (0.59) EGFRJAK2BRD4JAK3CCND3
SCHEMBL29848021 0.90 EGFR (0.59) EGFRJAK2BRD4JAK3CCND3
SCHEMBL16513933 0.88 CDK2 (0.58) EGFRJAK2BRD4JAK3CCND3
SCHEMBL16513575 0.86 CCND3 (0.57) EGFRJAK2BRD4JAK3CCND3
SCHEMBL16513502 0.84 CCND3 (0.65) EGFRJAK2BRD4JAK3CCND3
SCHEMBL21155529 0.84 CDK2 (0.68) EGFRJAK2BRD4JAK3CCND3
SCHEMBL16513490 0.81 MAPK10 (0.64) EGFRJAK2BRD4CDK2FGFR2

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
Send feedback