SCHEMBL27903580

SCHEMBL27903580

CN1CCN(C2CCN(c3ccncn3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.42
▸ ACVR1 Q04771 1/20 0.41
▸ GRM1 Q13255 1/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ SORD Q00796 1/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37
▸ NMT1 P30419 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 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
SCHEMBL9558132 0.78 SORD (0.55) GPR119GSK3BCYP2D6SORDHRH4
SCHEMBL13703145 0.76 GRM1 (0.47) GPR119GRM1KCNH2JAK2JAK1
SCHEMBL26701022 0.76 GRM1 (0.47) GPR119GRM1KCNH2JAK2JAK1
SCHEMBL30775215 0.73 GPR119 (0.47) GPR119GRM1KCNH2JAK2JAK1
SCHEMBL18867080 0.73 L3MBTL3 (0.53) ACVR1
SCHEMBL23875356 0.73 GPR119 (0.44) GPR119GRM1KCNH2JAK2JAK1
SCHEMBL30775219 0.73 GPR119 (0.47) GPR119GRM1KCNH2JAK2JAK1
SCHEMBL24929586 0.73 GPR119 (0.47) GPR119GRM1KCNH2JAK2JAK1
SCHEMBL674099 0.73 HRH4 (0.54) GPR119GRM1KCNH2JAK2JAK1
SCHEMBL24742884 0.73 SORD (0.50) GSK3BCYP2D6SORDHRH4

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
CN-101341134-B Pyrimidine derivatives PFIZER LTD 2013-05-01 — — CN disclosed
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