SCHEMBL6964672

SCHEMBL6964672

CCc1cc(NC(=O)Oc2ccccc2)c(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.44
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
GBA1 P04062 2/20 0.44
ACHE P22303 2/20 0.43
TLR9 Q9NR96 4/20 0.42
PTPN11 Q06124 1/20 0.42
TLR7 Q9NYK1 2/20 0.41
BACE1 P56817 2/20 0.41
SMO Q99835 1/20 0.41
SLC2A1 P11166 1/20 0.40
P2RX7 Q99572 1/20 0.40
NAMPT P43490 1/20 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
SCHEMBL6955265 0.90 GBA1 (0.48) KITCKS1BSKP1SKP2GBA1
SCHEMBL8700308 0.84 PTPN11 (0.48) KITCKS1BSKP1SKP2GBA1
SCHEMBL8699714 0.81 MAPT (0.50) TLR9TLR7BACE1
SCHEMBL6965376 0.80 MAPT (0.44) TLR9TLR7SLC2A1P2RX7NAMPT
SCHEMBL8699373 0.79 MAPT (0.47) NAMPT
SCHEMBL6956245 0.79 NAMPT (0.42) KITTLR9NAMPT
SCHEMBL6942726 0.78 ALDH1A1 (0.49) CKS1BSKP1SKP2PTPN11BACE1
SCHEMBL6965424 0.78 SMO (0.42) SMO
SCHEMBL9016294 0.76 KIT (0.46) KITCKS1BSKP1SKP2GBA1
SCHEMBL6942730 0.73 GAA (0.69) PTPN11NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed
EP-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 WO disclosed