SCHEMBL24418928

SCHEMBL24418928

CCC(CC)c1cc(N[C@H]2CC[C@H](NCCOCCOCCOCCNC(=O)OC(C)(C)C)C2)n2nccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.56
▸ CDK9 P50750 20/20 0.56
▸ CDK4 P11802 7/20 0.56
▸ CCND1 P24385 7/20 0.56
▸ CDK2 P24941 6/20 0.56
▸ CCNA1 P78396 6/20 0.56
▸ CDK1 P06493 5/20 0.56
▸ CCNA2 P20248 5/20 0.56
▸ CCNE1 P24864 5/20 0.56
▸ CDK3 Q00526 5/20 0.56
▸ CDK7 P50613 3/20 0.56
▸ CCNH P51946 3/20 0.56
▸ CDK6 Q00534 2/20 0.56
▸ CDK5 Q00535 2/20 0.56
▸ CDK5R1 Q15078 2/20 0.56
▸ CCNK O75909 1/20 0.56
▸ CDK14 O94921 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CCNC P24863 1/20 0.56
▸ CDK17 Q00537 1/20 0.56

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
SCHEMBL24418932 1.00 CCNT1 (0.56) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL21877666 0.85 CCNT1 (0.65) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL24418930 0.85 CDK9 (0.66) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL24418926 0.85 CDK9 (0.66) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL29558681 0.84 CCNT1 (0.62) CCNT1CDK9CDK4CCND1CDK2
Hydrochloric Acid SCHEMBL29558414 0.84 CDK9 (0.65) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL29558482 0.82 CDK9 (0.53) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL29558183 0.82 CCNT1 (0.56) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL24418931 0.81 CDK9 (0.59) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL24418845 0.81 CDK9 (0.59) CCNT1CDK9CDK4CCND1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240422-A1 COMPOUNDS AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2023-09-13 — — EP disclosed
WO-2022098843-A1 COMPOUNDS AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2022-05-12 — — WO disclosed
WO-2022098843-A1 COMPOUNDS AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2022-05-12 — — WO disclosed
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