SCHEMBL30182247

SCHEMBL30182247

O=Cc1cn(C2CCC2)nn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
PSMB8 P28062 8/20 0.39
PSMB5 P28074 8/20 0.39
PSMB9 P28065 4/20 0.37
SMYD3 Q9H7B4 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
IDO1 P14902 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
HDAC11 Q96DB2 1/20 0.32
ACHE P22303 3/20 0.32
DRD3 P35462 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28266976 0.98 PSMB8 (0.41) P2RX7PSMB8PSMB5PSMB9SMYD3
SCHEMBL18367737 0.96 PSMB8 (0.43) P2RX7PSMB8PSMB5PSMB9SMYD3
SCHEMBL15331115 0.86 P2RX7 (0.38) P2RX7PSMB8PSMB5SMYD3DRD2
Hydrochloric Acid SCHEMBL22533025 0.84 P2RX7 (0.37) P2RX7PSMB8PSMB5SMYD3DRD2
SCHEMBL18367749 0.84 P2RX7 (0.37) P2RX7SMYD3DRD2DRD4KCNH2
SCHEMBL4963807 0.81 KDM2A (0.42) P2RX7PSMB8PSMB5SMYD3DRD2
SCHEMBL21774861 0.78 SMYD3 (0.50) P2RX7PSMB8PSMB5PSMB9SMYD3
SCHEMBL21774864 0.78 SMYD3 (0.50) P2RX7PSMB8PSMB5PSMB9SMYD3
SCHEMBL28909869 0.77 SMYD3 (0.38) P2RX7PSMB8PSMB5PSMB9SMYD3
SCHEMBL28909867 0.77 SMYD3 (0.38) P2RX7PSMB8PSMB5PSMB9SMYD3

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-4370515-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2024-05-22 EP disclosed
WO-2023287896-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2023-01-19 WO disclosed