SCHEMBL30315451

SCHEMBL30315451

CC(C)n1cnc2c(NCCNC(N)=O)nc(-c3csc4ccccc34)nc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.71
▸ CDK5 Q00535 15/20 0.46
▸ CDK5R1 Q15078 13/20 0.46
▸ CDK1 P06493 10/20 0.46
▸ CCNB2 O95067 8/20 0.46
▸ CCNB1 P14635 8/20 0.46
▸ CCNB3 Q8WWL7 8/20 0.46
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ HIPK4 Q8NE63 1/20 0.41
▸ SRPK1 Q96SB4 1/20 0.41

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
SCHEMBL2313531 1.00 AHR (0.71) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL24689885 0.90 AHR (0.72) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL2318576 0.85 AHR (0.69) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL2314146 0.84 AHR (0.70) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL30315381 0.84 AHR (0.70) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL15011335 0.84 AHR (0.87) AHRCDK5CDK1CCNB2CCNB1
SCHEMBL30315255 0.84 AHR (0.65) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL2311825 0.84 AHR (0.65) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL2311353 0.83 AHR (0.84) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL2314090 0.83 AHR (0.79) AHRCDK5CDK5R1CDK1CCNB2

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
Send feedback