SCHEMBL20460985

SCHEMBL20460985

Nc1nc(N2CCC3(CCOC3)CC2)cnc1Sc1ccnc(Cl)c1Cl

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.70

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
SCHEMBL20388734 0.93 PTPN11 (0.69) PTPN11
SCHEMBL20461028 0.89 PTPN11 (0.70) PTPN11
SCHEMBL20461075 0.88 PTPN11 (0.70) PTPN11
SCHEMBL20388729 0.87 PTPN11 (0.74) PTPN11
SCHEMBL20460881 0.86 PTPN11 (0.70) PTPN11
SCHEMBL24878996 0.86 PTPN11 (0.59) PTPN11
SCHEMBL20460836 0.85 PTPN11 (0.54) PTPN11
SCHEMBL21154439 0.85 PTPN11 (0.59) PTPN11
SCHEMBL20460926 0.85 PTPN11 (0.55) PTPN11
SCHEMBL27132603 0.83 PTPN11 (0.53) PTPN11

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-3094628-B1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2018-08-08 EP disclosed