SCHEMBL30364404

SCHEMBL30364404

O=C1NCC2(CCCCC2)n2c1cc1cncnc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.53
▸ CDK4 P11802 16/20 0.53
▸ CCND1 P24385 16/20 0.53
▸ CCNE1 P24864 11/20 0.53
▸ CCND3 P30281 5/20 0.53
▸ CDK6 Q00534 5/20 0.53
▸ CCNT1 O60563 4/20 0.53
▸ CDK9 P50750 4/20 0.53
▸ CCNA2 P20248 2/20 0.53
▸ CDK1 P06493 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ CDK3 Q00526 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ TTK P33981 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ CCNH P51946 1/20 0.48
▸ NEK10 Q6ZWH5 1/20 0.48
▸ ULK2 Q8IYT8 1/20 0.48
▸ NUAK2 Q9H093 1/20 0.48

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
SCHEMBL19614370 0.84 CDK2 (0.43) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL15249224 0.81 CDK2 (0.57) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22570004 0.81 CDK2 (0.63) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL31252716 0.81 CDK2 (0.57) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL16081518 0.80 CDK2 (0.61) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL4549860 0.80 CDK2 (0.56) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL21014427 0.80 CDK2 (0.56) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22570112 0.80 CDK2 (0.66) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL20957562 0.79 CDK2 (0.55) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL31073178 0.79 CDK2 (0.55) CDK2CDK4CCND1CCNE1CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3503923-B1 COMBINATION THERAPIES FOR THE TREATMENT OF HEPATOCELLULAR CARCINOMA EISAI R&D MAN CO LTD (JP) 2023-10-04 — — EP claimed
WO-2024246713-A9 A PROCESS FOR THE PREPARATION OF CDK INHIBITING PYRROLOPYRIMIDINE COMPOUNDS FRESENIUS KABI ONCOLOGY LTD (IN) 2025-05-01 — — WO disclosed
WO-2024246713-A1 A PROCESS FOR THE PREPARATION OF CDK INHIBITING PYRROLOPYRIMIDINE COMPOUNDS FRESENIUS KABI ONCOLOGY LTD (IN) 2024-12-05 — — WO disclosed
EP-4164653-A1 MORPHIC FORMS OF TRILACICLIB AND METHODS OF MANUFACTURE THEREOF G1 Therapeutics, Inc. (US) 2023-04-19 — — EP disclosed
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