SCHEMBL29684202

SCHEMBL29684202

CC(=O)N1CCN(c2ccc(Nc3ncc(F)c(-c4cc(F)c5ncccc5c4)n3)nc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 19/20 0.63
▸ CDK4 P11802 17/20 0.63
▸ CSF1R P07333 2/20 0.63
▸ PIK3CD O00329 1/20 0.63
▸ CCND3 P30281 15/20 0.55
▸ CCNA2 P20248 10/20 0.55
▸ CDK2 P24941 7/20 0.55
▸ CCND1 P24385 4/20 0.55
▸ CCNT1 O60563 2/20 0.55
▸ CDK9 P50750 2/20 0.55
▸ CCNE1 P24864 1/20 0.54
▸ CDK7 P50613 1/20 0.54
▸ CCNH P51946 1/20 0.54
▸ CDK1 P06493 9/20 0.53
▸ CCNE2 O96020 4/20 0.51
▸ PIM1 P11309 2/20 0.51
▸ CDK5 Q00535 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
SCHEMBL24483253 1.00 CDK6 (0.63) CDK6CDK4CSF1RPIK3CDCCND3
Hydrochloric Acid SCHEMBL29684426 0.99 CDK6 (0.62) CDK6CDK4CSF1RPIK3CDCCND3
SCHEMBL29684466 0.92 CDK6 (0.54) CDK6CDK4CSF1RPIK3CDCCND3
SCHEMBL29684297 0.90 CDK4 (0.52) CDK6CDK4CSF1RPIK3CDCCND3
SCHEMBL24483446 0.90 CDK4 (0.52) CDK6CDK4CSF1RPIK3CDCCND3
Hydrochloric Acid SCHEMBL29684381 0.90 CDK4 (0.51) CDK6CDK4CSF1RPIK3CDCCND3
SCHEMBL24482655 0.89 DYRK2 (0.53) CDK6CDK4CSF1RPIK3CDCCND3
SCHEMBL29684007 0.89 DYRK2 (0.53) CDK6CDK4CSF1RPIK3CDCCND3
SCHEMBL24483440 0.89 CDK6 (0.67) CDK6CDK4CCND3CCNA2CDK2
SCHEMBL29684256 0.89 CDK6 (0.67) CDK6CDK4CCND3CCNA2CDK2

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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