SCHEMBL29684493

SCHEMBL29684493

Cc1cc(C(C)C)c2cc(-c3nc(Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn4)ncc3F)cc(F)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 15/20 0.52
▸ CDK4 P11802 13/20 0.52
▸ CSF1R P07333 2/20 0.52
▸ PIK3CD O00329 1/20 0.52
▸ DYRK2 Q92630 4/20 0.50
▸ CCND3 P30281 11/20 0.48
▸ CDK1 P06493 8/20 0.48
▸ CCNA2 P20248 7/20 0.48
▸ CCND1 P24385 5/20 0.48
▸ CDK2 P24941 7/20 0.48
▸ CCNE2 O96020 5/20 0.48
▸ CCNT1 O60563 2/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ CDK7 P50613 1/20 0.47
▸ CCNH P51946 1/20 0.47
▸ PIM1 P11309 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CYP2C19 P33261 1/20 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
SCHEMBL24483442 1.00 CDK6 (0.52) CDK6CDK4CSF1RPIK3CDDYRK2
SCHEMBL29684170 0.94 CDK6 (0.50) CDK6CDK4CSF1RPIK3CDDYRK2
SCHEMBL29684324 0.93 CDK6 (0.49) CDK6CDK4CSF1RPIK3CDDYRK2
SCHEMBL24483241 0.93 CDK6 (0.49) CDK6CDK4CSF1RPIK3CDDYRK2
SCHEMBL24482976 0.90 DYRK2 (0.51) CDK6CDK4CSF1RPIK3CDDYRK2
SCHEMBL24483445 0.90 DYRK2 (0.51) CDK6CDK4CSF1RPIK3CDDYRK2
SCHEMBL29683868 0.90 DYRK2 (0.51) CDK6CDK4CSF1RPIK3CDDYRK2
SCHEMBL29684632 0.90 DYRK2 (0.51) CDK6CDK4CSF1RPIK3CDDYRK2
SCHEMBL24482800 0.88 CDK6 (0.53) CDK6CDK4CSF1RPIK3CDDYRK2
SCHEMBL24482656 0.88 CDK6 (0.49) CDK6CDK4CSF1RPIK3CDDYRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022113003-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-06-02 — — WO claimed
WO-2022113003-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-06-02 — — WO disclosed
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