SCHEMBL16024258

SCHEMBL16024258

CC(C)n1cnc2c(NCCc3c[nH]c4cc(OCCN)ccc34)nc(-c3cncc(F)c3)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 3/20 0.48
▸ CDK2 P24941 3/20 0.48
▸ CCNE2 O96020 2/20 0.48
▸ CDK5 Q00535 12/20 0.42
▸ CDK5R1 Q15078 12/20 0.42
▸ CCNB2 O95067 9/20 0.42
▸ CDK1 P06493 9/20 0.42
▸ CCNB1 P14635 9/20 0.42
▸ CCNB3 Q8WWL7 9/20 0.42
▸ IP6K1 Q92551 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL2359928 0.92 CCNE2 (0.55) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL2359975 0.91 CCNE1 (0.46) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL2359895 0.90 CDK2 (0.47) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL21253888 0.90 CCNE1 (0.46) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL2314426 0.89 CCNE1 (0.46) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL21240843 0.89 CCNE2 (0.61) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL2357127 0.88 CCNE1 (0.45) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL2358698 0.87 CCNE2 (0.56) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL2358532 0.87 CCNE2 (0.54) CCNE1CDK2CCNE2MEN1USP2
SCHEMBL21754215 0.87 CDK2 (0.46) CCNE1CDK2CCNE2CDK5CDK5R1

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
WO-2014138485-A1 EX VIVO PRODUCTION OF PLATELETS FROM HEMATOPOIETIC STEM CELLS AND THE PRODUCT THEREOF IRM LLC (BM) 2014-09-12 — — WO disclosed
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