SCHEMBL30315420

SCHEMBL30315420

CC(C)n1cnc2c(NCCNc3ccccn3)nc(-c3cccnc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 3/20 0.55
▸ CDK12 Q9NYV4 3/20 0.55
▸ CDK2 P24941 12/20 0.50
▸ CDK5 Q00535 11/20 0.50
▸ CDK5R1 Q15078 11/20 0.50
▸ CCNA2 P20248 7/20 0.50
▸ CCNA1 P78396 7/20 0.50
▸ DYRK1A Q13627 6/20 0.50
▸ CDK1 P06493 9/20 0.48
▸ CCNB1 P14635 8/20 0.48
▸ CCNB2 O95067 5/20 0.48
▸ CCNB3 Q8WWL7 5/20 0.48
▸ CDK9 P50750 2/20 0.47
▸ CCNE1 P24864 4/20 0.46
▸ CCNE2 O96020 1/20 0.46
▸ CDK4 P11802 4/20 0.45
▸ MAPK1 P28482 4/20 0.45
▸ CDK7 P50613 4/20 0.45
▸ CCND1 P24385 3/20 0.45
▸ CCNH P51946 3/20 0.45

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
SCHEMBL2311460 1.00 CCNK (0.55) CCNKCDK12CDK2CDK5CDK5R1
SCHEMBL21017207 0.85 CDK2 (0.52) CCNKCDK12CDK2CDK5CDK5R1
SCHEMBL2315371 0.84 CDK2 (0.54) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL2318356 0.83 AHR (0.51) CCNKCDK12CDK2CDK5CDK5R1
SCHEMBL2310970 0.83 CDK5 (0.53) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL30315332 0.83 CDK5 (0.53) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL20895840 0.81 AHR (0.49) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL2317564 0.81 AHR (0.62) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL3501809 0.81 AHR (0.51) CCNKCDK12CDK2CDK5CDK5R1
SCHEMBL25306155 0.80 CDK2 (0.51) CCNKCDK12CDK2CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3524604-B1 EXPANDED HEMATOPOIETIC STEM CELLS FROM CORD BLOOD AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2023-03-29 — — EP disclosed
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