SCHEMBL30315450

SCHEMBL30315450

CC(C)n1cnc2c(NCCn3c(=O)[nH]c4ccccc43)nc(-c3cccnc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 14/20 0.44
▸ CCNB1 P14635 12/20 0.44
▸ CDK5 Q00535 7/20 0.44
▸ CDK5R1 Q15078 6/20 0.44
▸ CCNB2 O95067 5/20 0.44
▸ CCNB3 Q8WWL7 5/20 0.44
▸ CDK2 P24941 13/20 0.43
▸ CDK9 P50750 6/20 0.43
▸ CDK4 P11802 9/20 0.43
▸ MAPK1 P28482 9/20 0.43
▸ CDK7 P50613 9/20 0.43
▸ CCNE1 P24864 9/20 0.43
▸ CCNH P51946 8/20 0.43
▸ CCND1 P24385 7/20 0.43
▸ CCNT1 O60563 4/20 0.43
▸ CCNK O75909 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ CCNA2 P20248 2/20 0.42

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
SCHEMBL3499988 1.00 CDK1 (0.44) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL20558099 0.88 CDK1 (0.42) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL20541955 0.83 CDK1 (0.58) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL2312592 0.80 ADORA2A (0.48) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL30315224 0.80 ADORA2A (0.48) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL2312403 0.78 CDK1 (0.45) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL30315385 0.78 CDK1 (0.45) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL21017207 0.78 CDK2 (0.52) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL2311460 0.78 CCNK (0.55) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL30315420 0.78 CCNK (0.55) CDK1CCNB1CDK5CDK5R1CCNB2

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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