SCHEMBL20981874

SCHEMBL20981874

CC(C)n1cnc2c(NCCc3c[nH]c4c(F)cccc34)nc(-c3cncc(F)c3)nc21.CC(C)n1cnc2c(NCCc3c[nH]c4cccc(F)c34)nc(-c3cncc(F)c3)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.45
▸ CCNE2 O96020 4/20 0.45
▸ CCNE1 P24864 4/20 0.45
▸ AHR P35869 2/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ CDK5 Q00535 7/20 0.37
▸ CDK5R1 Q15078 7/20 0.37
▸ CCNB2 O95067 6/20 0.37
▸ CDK1 P06493 6/20 0.37
▸ CCNB1 P14635 6/20 0.37
▸ CCNB3 Q8WWL7 6/20 0.37
▸ CCNK O75909 2/20 0.36
▸ CDK12 Q9NYV4 2/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35

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
SCHEMBL30315335 0.94 CDK2 (0.44) CDK2CCNE2CCNE1AHRGBA1
SCHEMBL2316607 0.94 CDK2 (0.44) CDK2CCNE2CCNE1AHRGBA1
SCHEMBL2316807 0.94 CDK2 (0.44) CDK2CCNE2CCNE1AHRGBA1
SCHEMBL21240842 0.89 CDK2 (0.42) CDK2CCNE2CCNE1AHRGBA1
SCHEMBL2358698 0.89 CCNE2 (0.56) CDK2CCNE2CCNE1AHRGBA1
SCHEMBL2311943 0.88 CDK2 (0.43) CDK2CCNE2CCNE1AHRGBA1
SCHEMBL30315466 0.88 CDK2 (0.43) CDK2CCNE2CCNE1AHRGBA1
SCHEMBL2358503 0.88 CDK2 (0.43) CDK2CCNE2CCNE1AHRGBA1
SCHEMBL20542274 0.85 CDK5 (0.40) CDK2CCNE2CCNE1AHRCDK5
SCHEMBL2359895 0.84 CDK2 (0.47) 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-2788476-B1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS HUTCHINSON FRED CANCER RES (US) 2019-05-22 — — EP disclosed
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