SCHEMBL3723039

SCHEMBL3723039

NC(=O)c1cncnc1NC1(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 6/20 0.47
▸ HDAC3 O15379 6/20 0.46
▸ HDAC1 Q13547 6/20 0.46
▸ HDAC2 Q92769 6/20 0.46
▸ HDAC6 Q9UBN7 6/20 0.46
▸ SYK P43405 1/20 0.44
▸ RPS6KB1 P23443 6/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ AKT1 P31749 2/20 0.39

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
SCHEMBL913766 0.77 VNN1 (0.43) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL914058 0.75 VNN1 (0.41) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL13734933 0.75 SYK (0.66) SYKRPS6KB1
SCHEMBL2696548 0.72 VNN1 (0.45) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3712006 0.71 RPS6KB1 (0.63) RPS6KB1AKT1
SCHEMBL913839 0.69 EGFR (0.57) SYK
SCHEMBL30240978 0.68 SYK (0.57) SYKRPS6KB1
SCHEMBL30504149 0.68 RPS6KB1 (0.64) RPS6KB1
SCHEMBL30315919 0.66 BCAT2 (0.46) SYKRPS6KB1AKT1
SCHEMBL20491534 0.66 VNN1 (0.78) VNN1HDAC3HDAC1HDAC2HDAC6

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-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — WO disclosed
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