SCHEMBL29684249

SCHEMBL29684249

Cc1cc(C(C)C)c2cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc(F)c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 18/20 0.65
CDK4 P11802 16/20 0.65
CDK1 P06493 9/20 0.65
CDK2 P24941 6/20 0.65
CCND1 P24385 5/20 0.65
CCNE1 P24864 2/20 0.65
CCNT1 O60563 1/20 0.65
CYP2C9 P11712 1/20 0.65
CCNB1 P14635 1/20 0.65
CYP2C19 P33261 1/20 0.65
CDK9 P50750 1/20 0.65
CDK5 Q00535 1/20 0.65
KCNH2 Q12809 1/20 0.65
CDK5R1 Q15078 1/20 0.65
CCND3 P30281 13/20 0.64
CCNA2 P20248 9/20 0.64
PIM1 P11309 5/20 0.64
CCNE2 O96020 4/20 0.64
CSF1R P07333 2/20 0.61
PIK3CD O00329 1/20 0.61

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
SCHEMBL24483439 1.00 CDK6 (0.65) CDK6CDK4CDK1CDK2CCND1
Hydrochloric Acid SCHEMBL29684104 0.99 CDK6 (0.64) CDK6CDK4CDK1CDK2CCND1
SCHEMBL29684306 0.94 CDK6 (0.63) CDK6CDK4CDK1CDK2CCND1
SCHEMBL24482797 0.94 CDK6 (0.63) CDK6CDK4CDK1CDK2CCND1
SCHEMBL29684357 0.94 CDK6 (0.63) CDK6CDK4CDK1CDK2CCND1
SCHEMBL24483233 0.94 CDK6 (0.63) CDK6CDK4CDK1CDK2CCND1
SCHEMBL24482969 0.93 CDK6 (0.64) CDK6CDK4CDK1CDK2CCND1
SCHEMBL29684371 0.93 CDK6 (0.64) CDK6CDK4CDK1CDK2CCND1
Hydrochloric Acid SCHEMBL29683899 0.93 CDK6 (0.64) CDK6CDK4CDK1CDK2CCND1
SCHEMBL24483450 0.89 CDK6 (0.66) CDK6CDK4CDK1CDK2CCND1

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