SCHEMBL21240842

SCHEMBL21240842

CC(C)n1cnc2c(NCCc3c[nH]c4cccc(F)c34)nc(-c3cncc(F)c3)nc21.Cc1[nH]c2ccccc2c1CCNc1nc(-c2cncc(F)c2)nc2c1ncn2C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.42
▸ CCNE2 O96020 3/20 0.42
▸ CCNE1 P24864 3/20 0.42
▸ AHR P35869 2/20 0.37
▸ IP6K1 Q92551 2/20 0.36
▸ GBA1 P04062 1/20 0.35
▸ CDK5 Q00535 6/20 0.35
▸ CDK5R1 Q15078 6/20 0.35
▸ CCNB2 O95067 5/20 0.35
▸ CDK1 P06493 5/20 0.35
▸ CCNB1 P14635 5/20 0.35
▸ CCNB3 Q8WWL7 5/20 0.35
▸ CCNK O75909 2/20 0.34
▸ CDK12 Q9NYV4 2/20 0.34
▸ EIF2AK2 P19525 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL2316807 0.91 CDK2 (0.44) CDK2CCNE2CCNE1AHRGBA1
SCHEMBL30579354 0.91 AHR (0.43) CDK2CCNE2CCNE1AHRIP6K1
SCHEMBL2356743 0.91 AHR (0.43) CDK2CCNE2CCNE1AHRIP6K1
SCHEMBL20981874 0.89 CDK2 (0.45) CDK2CCNE2CCNE1AHRGBA1
SCHEMBL2311943 0.86 CDK2 (0.43) CDK2CCNE2CCNE1AHRGBA1
SCHEMBL30315466 0.86 CDK2 (0.43) CDK2CCNE2CCNE1AHRGBA1
SCHEMBL2358698 0.86 CCNE2 (0.56) CDK2CCNE2CCNE1AHRIP6K1
SCHEMBL20541983 0.85 NTRK1 (0.41) CDK2CCNE2CCNE1AHRCDK5
SCHEMBL20557731 0.83 CDK5 (0.41) CDK2CCNE2CCNE1AHRCDK5
SCHEMBL2316607 0.83 CDK2 (0.44) CDK2CCNE2CCNE1AHRGBA1

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-A1 EXPANDED HEMATOPOIETIC STEM CELLS FROM CORD BLOOD AND THEIR THERAPEUTIC USE Novartis AG (CH) 2019-08-14 — — EP disclosed
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