SCHEMBL13635846

SCHEMBL13635846

CCNc1nc(N)nc2nc(-c3c(C)cc(C)cc3C)ccc12

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.63
PTPN1 P18031 13/20 0.55

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
SCHEMBL3739139 0.90 NLRP3 (0.70) NLRP3PTPN1
SCHEMBL4373732 0.86 NLRP3 (0.64) NLRP3PTPN1
SCHEMBL3735392 0.85 PTPN1 (0.64) PTPN1
SCHEMBL4373518 0.80 PTPN1 (0.74) NLRP3PTPN1
SCHEMBL4380079 0.80 PTPN1 (0.74) NLRP3PTPN1
Trifluoroacetic Acid SCHEMBL3729372 0.76 NLRP3 (0.56) NLRP3PTPN1
SCHEMBL4380075 0.75 PTPN1 (0.63) NLRP3PTPN1
SCHEMBL3745239 0.74 PTPN1 (0.75) PTPN1
SCHEMBL4378604 0.73 PTPN1 (0.75) NLRP3PTPN1
SCHEMBL4371507 0.73 PTPN1 (0.78) NLRP3PTPN1

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
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP disclosed