SCHEMBL29684372

SCHEMBL29684372

Fc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1cc(F)c2ncccc2c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 18/20 0.67
▸ PIM1 P11309 5/20 0.67
▸ CDK4 P11802 13/20 0.66
▸ CCND3 P30281 14/20 0.66
▸ CCNA2 P20248 9/20 0.65
▸ CDK1 P06493 8/20 0.65
▸ CDK2 P24941 5/20 0.65
▸ CCNE2 O96020 4/20 0.65
▸ CCND1 P24385 8/20 0.64
▸ CCNE1 P24864 1/20 0.62
▸ CCNT1 O60563 1/20 0.61
▸ CDK7 P50613 1/20 0.61
▸ CDK9 P50750 1/20 0.61
▸ CCNH P51946 1/20 0.61
▸ MNAT1 P51948 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
SCHEMBL24482652 1.00 CDK6 (0.67) CDK6PIM1CDK4CCND3CCNA2
Hydrochloric Acid SCHEMBL29683872 0.99 CDK6 (0.66) CDK6PIM1CDK4CCND3CCNA2
SCHEMBL29684256 0.89 CDK6 (0.67) CDK6PIM1CDK4CCND3CCNA2
SCHEMBL24483440 0.89 CDK6 (0.67) CDK6PIM1CDK4CCND3CCNA2
SCHEMBL29684369 0.89 CDK6 (0.53) CDK6PIM1CDK4CCND3CCNA2
SCHEMBL24483260 0.89 CDK6 (0.53) CDK6PIM1CDK4CCND3CCNA2
Hydrochloric Acid SCHEMBL29684387 0.88 CDK6 (0.66) CDK6PIM1CDK4CCND3CCNA2
Hydrochloric Acid SCHEMBL29684382 0.88 CDK6 (0.53) CDK6PIM1CDK4CCND3CCNA2
SCHEMBL24483240 0.88 CDK6 (0.63) CDK6PIM1CDK4CCND3CCNA2
SCHEMBL29683999 0.88 CDK6 (0.63) CDK6PIM1CDK4CCND3CCNA2

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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