SCHEMBL29246384

SCHEMBL29246384

O=C1NC2(CC2)c2ccc(-c3nc(Nc4cc(N5CCNCC5)ccc4OC4CCOC4)ncc3F)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 18/20 0.46
▸ CDK4 P11802 13/20 0.46
▸ CCND1 P24385 8/20 0.46
▸ CCND3 P30281 8/20 0.46
▸ CCNA2 P20248 8/20 0.46
▸ CDK2 P24941 7/20 0.46
▸ CCNT1 O60563 4/20 0.46
▸ CDK9 P50750 4/20 0.46
▸ CDK7 P50613 3/20 0.46
▸ CCNH P51946 3/20 0.46
▸ MNAT1 P51948 3/20 0.46
▸ PIM1 P11309 5/20 0.42
▸ CSF1R P07333 3/20 0.41
▸ CDK1 P06493 3/20 0.41
▸ CCNE2 O96020 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ DYRK2 Q92630 1/20 0.40
▸ PIK3CD O00329 2/20 0.39

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
SCHEMBL29246403 0.95 CDK6 (0.48) CDK6CDK4CCND1CCND3CCNA2
SCHEMBL29246689 0.93 CCND1 (0.45) CDK6CDK4CCND1CCND3CCNA2
SCHEMBL29246493 0.93 CDK6 (0.50) CDK6CDK4CCND1CCND3CCNA2
SCHEMBL29246530 0.89 CCND1 (0.44) CDK6CDK4CCND1CCND3CCNA2
SCHEMBL29246590 0.87 CCND1 (0.46) CDK6CDK4CCND1CCND3CCNA2
SCHEMBL29246474 0.86 JAK2 (0.44) CDK6CDK4CCND1CCND3CCNA2
SCHEMBL29226641 0.85 CDK6 (0.49) CDK6CDK4CCND1CCND3CCNA2
SCHEMBL29246568 0.85 CDK6 (0.41) CDK6CDK4CCND1CCND3CCNA2
SCHEMBL29246355 0.84 JAK2 (0.39) CDK6CDK4CCND1CCND3CCNA2
SCHEMBL29246339 0.84 CDK6 (0.40) CDK6CDK4CCND1CCND3CCNA2

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-118307521-A Pyrimidine PLK1 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-07-09 — — CN disclosed
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