SCHEMBL20895828

SCHEMBL20895828

CCC(C)n1cnc2c(NCCc3c[nH]c4ccccc34)nc(-c3cncc(C)c3)nc21.CCC(C)n1cnc2c(NCCc3c[nH]c4ccccc34)nc(-c3cncc(F)c3)nc21.CCC(C)n1cnc2c(NCCc3c[nH]c4ccccc34)nc(-c3cncc(F)c3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CCNE2 O96020 1/20 0.46
▸ GBA1 P04062 1/20 0.44
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ USP2 O75604 3/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MAPK1 P28482 3/20 0.36
▸ TP53 P04637 2/20 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
SCHEMBL20981879 1.00 CCNE1 (0.46) CCNE1CDK2CCNE2GBA1MEN1
SCHEMBL20895827 1.00 CCNE1 (0.46) CCNE1CDK2CCNE2GBA1MEN1
SCHEMBL20981880 1.00 CCNE1 (0.46) CCNE1CDK2CCNE2GBA1MEN1
SCHEMBL2359140 0.96 CCNE1 (0.49) CCNE1CDK2CCNE2GBA1MEN1
SCHEMBL21240851 0.96 CCNE1 (0.49) CCNE1CDK2CCNE2GBA1MEN1
SCHEMBL2359510 0.96 CCNE1 (0.49) CCNE1CDK2CCNE2GBA1MEN1
SCHEMBL21240852 0.96 CCNE1 (0.49) CCNE1CDK2CCNE2GBA1MEN1
SCHEMBL2358940 0.96 CCNE1 (0.49) CCNE1CDK2CCNE2GBA1MEN1
SCHEMBL2358529 0.96 CCNE2 (0.49) CCNE1CDK2CCNE2GBA1MEN1
SCHEMBL2359766 0.96 CCNE2 (0.49) CCNE1CDK2CCNE2GBA1MEN1

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-2350078-B1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2019-04-17 — — EP disclosed
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