SCHEMBL13472168

SCHEMBL13472168

CCCN1CCN(C(=O)NC(C)(C)C)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.48
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CSNK1E P49674 9/20 0.36
▸ CSNK1D P48730 5/20 0.36
▸ CNR2 P34972 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ TPSAB1 Q15661 1/20 0.34
▸ TPSD1 Q9BZJ3 1/20 0.34
▸ TPSG1 Q9NRR2 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
SCHEMBL12788698 0.83 POLB (0.47) P2RX7
SCHEMBL13472124 0.80 P2RX7 (0.48) P2RX7CNR2
SCHEMBL13472169 0.80 LMNA (0.44) P2RX7LMNASMN1; SMN2CSNK1ECSNK1D
SCHEMBL1583253 0.77 P2RX7 (0.46) P2RX7LMNASMN1; SMN2CNR2
SCHEMBL13472127 0.74 LMNA (0.49) LMNASMN1; SMN2CNR2GAA
SCHEMBL13934439 0.71 POLB (0.47) P2RX7
SCHEMBL24664731 0.70 P2RX7 (0.51) P2RX7SMN1; SMN2
SCHEMBL27339801 0.69 P2RX7 (0.38) P2RX7
SCHEMBL26748677 0.69 POLB (0.37) P2RX7
SCHEMBL1583540 0.69 CNR2 (0.40) P2RX7LMNASMN1; SMN2CNR2TPSAB1

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
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 — — US disclosed
Send feedback