SCHEMBL30209082

SCHEMBL30209082

CC(C)c1cnn2c(NCc3cccnc3)cc(Cl)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.61
▸ CDK7 P50613 5/20 0.54
▸ CDK2 P24941 6/20 0.52
▸ CCNE1 P24864 3/20 0.52
▸ CCNT1 O60563 2/20 0.52
▸ CDK1 P06493 2/20 0.52
▸ CDK4 P11802 2/20 0.52
▸ CCNB1 P14635 2/20 0.52
▸ CCND1 P24385 2/20 0.52
▸ CDK8 P49336 2/20 0.52
▸ CDK9 P50750 2/20 0.52
▸ CCNH P51946 2/20 0.52
▸ CDK6 Q00534 2/20 0.52
▸ CDK5 Q00535 2/20 0.52
▸ MNAT1 P51948 1/20 0.52
▸ CDK5R1 Q15078 1/20 0.52
▸ INSRR P14616 1/20 0.51
▸ MAPK3 P27361 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CSNK1A1 P48729 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
SCHEMBL24962513 1.00 GSK3B (0.61) GSK3BCDK7CDK2CCNE1CCNT1
SCHEMBL33378024 0.89 GSK3B (0.49) GSK3BCDK7CDK2CCNE1CCNT1
SCHEMBL30083532 0.89 CDK7 (0.50) GSK3BCDK7CDK2CCNE1CCNT1
SCHEMBL17032296 0.89 CDK2 (0.58) GSK3BCDK7CDK2CCNE1CCNT1
SCHEMBL1370667 0.89 CDK7 (0.66) CDK7CDK2CCNE1CCNT1CDK1
SCHEMBL33377874 0.86 CDK7 (0.50) GSK3BCDK7CDK2CCNE1CCNT1
SCHEMBL30083581 0.85 CDK2 (0.52) GSK3BCDK7CDK2CCNE1CCNT1
SCHEMBL33378026 0.85 CDK7 (0.73) GSK3BCDK7CDK2CCNE1CCNT1
SCHEMBL12952862 0.84 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL12143382 0.84 CDK7 (0.55) CDK7CDK2CCNE1CCNT1CDK1

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
EP-4717312-A1 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES USEFUL AS A MEDICAMENT Perha Pharmaceuticals (FR) 2026-04-01 — — EP disclosed
WO-2023001061-A1 CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2023-01-26 — — WO disclosed
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