SCHEMBL21471583

SCHEMBL21471583

COC(=O)CCCCCCC(=O)N1CCN(c2ccc(Nc3nc(Br)cn4ccnc34)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
SYK P43405 13/20 0.42
CD63 P08962 5/20 0.41
CDK4 P11802 1/20 0.40
CCND3 P30281 1/20 0.40
HDAC1 Q13547 2/20 0.40
JAK2 O60674 3/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
MAPT P10636 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL24179240 0.81 SYK (0.70) SYKJAK2
SCHEMBL30806184 0.81 SYK (0.43) AURKASYKCD63JAK2MAPT
SCHEMBL2217499 0.80 CCND3 (0.51) AURKASYKCD63CDK4CCND3
SCHEMBL23911878 0.79 SYK (0.70) SYKJAK2
SCHEMBL21471429 0.78 AURKA (0.53) AURKASYKCD63JAK2
SCHEMBL30806172 0.77 AURKA (0.45) AURKASYKCD63HDAC1JAK2
SCHEMBL15551735 0.77 SYK (0.65) AURKASYKCD63CDK4JAK2
SCHEMBL19998666 0.76 AURKA (0.53) AURKASYKCD63JAK2
SCHEMBL20005722 0.75 AURKA (0.65) AURKASYKCD63JAK2
SCHEMBL1542681 0.74 PDGFRB (0.44) AURKASYKJAK2

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-3553065-A1 HETEROCYCLIC COMPOUND AS SYK INHIBITOR AND/OR SYK-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2019-10-16 EP disclosed