SCHEMBL30315325

SCHEMBL30315325

CC(C)n1cnc2c(NCCN3CCNC3=O)nc(-c3csc4ccccc34)nc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.64
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ IRAK1 P51617 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ CDK5 Q00535 12/20 0.40
▸ CDK1 P06493 11/20 0.40
▸ CDK5R1 Q15078 10/20 0.40
▸ CCNB2 O95067 8/20 0.40
▸ CCNB1 P14635 8/20 0.40
▸ CCNB3 Q8WWL7 8/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CDK2 P24941 2/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ HIPK4 Q8NE63 1/20 0.36

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
SCHEMBL2310920 1.00 AHR (0.64) AHRADORA2AADORA1IRAK1IRAK4
SCHEMBL2314533 0.89 AHR (0.62) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL30315440 0.89 AHR (0.62) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL2318576 0.82 AHR (0.69) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL30315381 0.81 AHR (0.70) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL2314146 0.81 AHR (0.70) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL15011335 0.81 AHR (0.87) AHRCDK5CDK1CCNB2CCNB1
SCHEMBL24689885 0.80 AHR (0.72) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL2313738 0.80 AHR (0.71) AHRCDK5CDK1CDK5R1CCNB2
SCHEMBL30315224 0.79 ADORA2A (0.48) ADORA2AADORA1IRAK1IRAK4CDK5

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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