SCHEMBL24629903

SCHEMBL24629903

Cc1nnc2n1CCN(C(N)=O)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.47
PARP1 P09874 1/20 0.41
NOTUM Q6P988 1/20 0.41
POLB P06746 1/20 0.41
PDK2 Q15119 1/20 0.39
TACR3 P29371 9/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
KCNH2 Q12809 2/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL13209051 0.85 POLB (0.47) P2RX7PARP1NOTUMPOLBPDK2
SCHEMBL17232814 0.84 P2RX7 (0.48) P2RX7PARP1NOTUMPOLBPDK2
SCHEMBL16219061 0.80 P2RX7 (0.45) P2RX7PARP1NOTUMPOLBPDK2
SCHEMBL13245865 0.80 NOTUM (0.47) P2RX7PARP1NOTUMPOLBPDK2
SCHEMBL25430234 0.75 NOTUM (0.43) P2RX7NOTUMPOLBPDK2TACR3
SCHEMBL13209040 0.72 POLB (0.49) P2RX7PARP1NOTUMPOLBCYP1A2
SCHEMBL8034374 0.70 POLB (0.48) P2RX7NOTUMPOLB
SCHEMBL21253359 0.70 P2RX7 (0.74) P2RX7
SCHEMBL21253334 0.67 P2RX7 (0.80) P2RX7
SCHEMBL17232706 0.67 POLB (0.42) P2RX7NOTUMPOLBCYP2C19

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-2022150707-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, Inc. (US) 2022-07-14 WO disclosed