SCHEMBL30315335

SCHEMBL30315335

CC(C)n1cnc2c(NCCc3c[nH]c4c(F)cccc34)nc(-c3cncc(F)c3)nc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.44
▸ CCNE2 O96020 4/20 0.44
▸ CCNE1 P24864 4/20 0.44
▸ AHR P35869 1/20 0.41
▸ CDK5 Q00535 10/20 0.41
▸ CDK5R1 Q15078 10/20 0.41
▸ CDK1 P06493 9/20 0.41
▸ CCNB2 O95067 8/20 0.41
▸ CCNB1 P14635 8/20 0.41
▸ CCNB3 Q8WWL7 8/20 0.41
▸ CCNK O75909 2/20 0.39
▸ CDK12 Q9NYV4 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CCNA2 P20248 3/20 0.38
▸ CCNA1 P78396 3/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ GBA1 P04062 1/20 0.36
▸ DYRK1A Q13627 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
SCHEMBL2316607 1.00 CDK2 (0.44) CDK2CCNE2CCNE1AHRCDK5
SCHEMBL20981874 0.94 CDK2 (0.45) CDK2CCNE2CCNE1AHRCDK5
SCHEMBL2358503 0.93 CDK2 (0.43) CDK2CCNE2CCNE1AHRCDK5
SCHEMBL20542274 0.91 CDK5 (0.40) CDK2CCNE2CCNE1AHRCDK5
SCHEMBL2358698 0.89 CCNE2 (0.56) CDK2CCNE2CCNE1AHRCDK5
SCHEMBL2358550 0.88 CDK2 (0.44) CDK2CCNE2CCNE1AHRCDK5
SCHEMBL2316807 0.88 CDK2 (0.44) CDK2CCNE2CCNE1AHRCDK5
SCHEMBL2359895 0.86 CDK2 (0.47) CDK2CCNE2CCNE1AHRCDK5
SCHEMBL20541983 0.85 NTRK1 (0.41) CDK2CCNE2CCNE1AHRCDK5
SCHEMBL20542259 0.85 CDK2 (0.46) CDK2CCNE2CCNE1AHRCDK5

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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