SCHEMBL27846131

SCHEMBL27846131

CC(C)C(=O)On1cnc2c(NCCc3c[nH]c4ccccc34)nc(Cl)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.49
▸ CCNE2 O96020 1/20 0.49
▸ CCNE1 P24864 1/20 0.49
▸ PDPK1 O15530 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ GPR18 Q14330 3/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL2358849 0.86 CDK2 (0.58) CDK2CCNE2CCNE1PDPK1RPS6KB1
SCHEMBL20542116 0.74 CCNE2 (0.49) CDK2CCNE2CCNE1GPR18CNR1
SCHEMBL20542192 0.72 CDK2 (0.52) CDK2CCNE2CCNE1NPC1MAPK1
SCHEMBL20558018 0.71 CDK1 (0.54) CDK2CCNE2CCNE1TSHRCYP2C19
SCHEMBL20542182 0.71 HTT (0.46) CDK2CCNE2CCNE1GPR18CNR1
SCHEMBL30579436 0.71 HTT (0.46) CDK2CCNE2CCNE1GPR18CNR1
SCHEMBL30579381 0.71 KMT2A (0.56) CDK2PDPK1RPS6KB1MKNK1MKNK2
SCHEMBL21754368 0.71 KMT2A (0.56) CDK2PDPK1RPS6KB1MKNK1MKNK2
SCHEMBL29244477 0.70 KMT2A (0.47) PDPK1RPS6KB1KMT2AMEN1LMNA
SCHEMBL29244533 0.70 KMT2A (0.54) CDK2PDPK1RPS6KB1KMT2AMEN1

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
CN-102203096-A Compounds that expand hematopoietic stem cells IRM LLC 2011-09-28 — — CN disclosed
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