SCHEMBL30315255

SCHEMBL30315255

CC(=O)NCC(C)CNc1nc(-c2csc3ccccc23)nc2c1ncn2C(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.65
▸ CDK1 P06493 13/20 0.43
▸ CDK5 Q00535 12/20 0.43
▸ CDK5R1 Q15078 9/20 0.43
▸ CCNB1 P14635 7/20 0.43
▸ CCNB2 O95067 6/20 0.43
▸ CCNB3 Q8WWL7 6/20 0.43
▸ CDK2 P24941 5/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CCNE2 O96020 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ CLK2 P49760 1/20 0.38

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
SCHEMBL2311825 1.00 AHR (0.65) AHRCDK1CDK5CDK5R1CCNB1
SCHEMBL2313531 0.84 AHR (0.71) AHRCDK1CDK5CDK5R1CCNB1
SCHEMBL30315451 0.84 AHR (0.71) AHRCDK1CDK5CDK5R1CCNB1
SCHEMBL24689885 0.83 AHR (0.72) AHRCDK1CDK5CDK5R1CCNB1
SCHEMBL15011335 0.80 AHR (0.87) AHRCDK1CDK5CCNB1CCNB2
SCHEMBL2318576 0.79 AHR (0.69) AHRCDK1CDK5CDK5R1CCNB1
SCHEMBL2314090 0.79 AHR (0.79) AHRCDK1CDK5CDK5R1CCNB1
SCHEMBL2314094 0.79 AHR (1.00) AHRCDK1CDK5CDK5R1CCNB1
SCHEMBL29686381 0.79 AHR (1.00) AHRCDK1CDK5CDK5R1CCNB1
SCHEMBL2314146 0.78 AHR (0.70) AHRCDK1CDK5CDK5R1CCNB1

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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