SCHEMBL4963807

SCHEMBL4963807

O=Cc1cn(C2CCN(C(=O)O)CC2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2A Q9Y2K7 10/20 0.42
KDM5C P41229 10/20 0.42
KDM4C Q9H3R0 9/20 0.42
KDM6B O15054 6/20 0.42
KDM4A O75164 4/20 0.42
KDM3A Q9Y4C1 6/20 0.40
P2RX7 Q99572 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
KDM5A P29375 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL30182247 0.81 P2RX7 (0.42) P2RX7DRD2DRD4KCNH2SIGMAR1
SCHEMBL22532671 0.80 KDM2A (0.35) KDM2AKDM5CKDM4CKDM6BKDM4A
SCHEMBL18367749 0.80 P2RX7 (0.37) KDM2AKDM5CKDM4CKDM6BKDM4A
SCHEMBL28266976 0.79 PSMB8 (0.41) P2RX7DRD2DRD4KCNH2SIGMAR1
SCHEMBL16717256 0.79 KDM5C (0.43) KDM2AKDM5CKDM4CKDM6BKDM4A
SCHEMBL16399950 0.79 KDM5A (0.51) KDM2AKDM5CKDM4CKDM6BKDM4A
SCHEMBL18375758 0.78 SMN1; SMN2 (0.55) KDM2AKDM5CKDM3A
SCHEMBL18367737 0.78 PSMB8 (0.43) P2RX7DRD2DRD4KCNH2SIGMAR1
SCHEMBL21774861 0.77 SMYD3 (0.50) KDM2AKDM5CKDM4CKDM6BKDM4A
SCHEMBL21774864 0.77 SMYD3 (0.50) KDM2AKDM5CKDM4CKDM6BKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020070332-A1 OXINDOLE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2020-04-09 WO disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 WO disclosed