SCHEMBL21423969

SCHEMBL21423969

CC(=O)N1CCn2c(C(C)O)cnc2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
P2RX7 Q99572 12/20 0.38
KMT2A Q03164 2/20 0.35
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TGFBR1 P36897 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL23011644 0.87 PDK2 (0.39) PDK2P2RX7HDAC4HDAC1HDAC6
SCHEMBL17579750 0.79 PDK2 (0.41) PDK2P2RX7KMT2AHDAC4HDAC1
SCHEMBL21423632 0.78 P2RX7 (0.51) PDK2P2RX7KMT2AHDAC4HDAC1
SCHEMBL23011648 0.78 TGFBR1 (0.38) PDK2P2RX7KMT2AHDAC4HDAC1
SCHEMBL21423961 0.77 TGFBR1 (0.40) PDK2P2RX7KMT2AHDAC4HDAC1
SCHEMBL24656040 0.77 P2RX7 (0.39) PDK2P2RX7KMT2AHDAC4HDAC1
SCHEMBL599712 0.77 P2RX7 (0.53) PDK2P2RX7KMT2AHDAC4HDAC1
SCHEMBL22916963 0.77 PDK2 (0.39) PDK2P2RX7HDAC4HDAC1HDAC6
SCHEMBL10233673 0.75 CPB2 (0.43) PDK2P2RX7KMT2AHDAC4HDAC1
SCHEMBL10183064 0.75 PDK2 (0.43) PDK2P2RX7KMT2AHDAC4HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778573-A1 COMPOUND WITH ANTICANCER ACTIVITY Kyowa Kirin Co., Ltd. (JP) 2021-02-17 EP disclosed
WO-2019189778-A1 COMPOUND WITH ANTICANCER ACTIVITY 協和発酵キリン株式会社 2019-10-03 WO disclosed