SCHEMBL24879501

SCHEMBL24879501

CCc1nc(Sc2ccc3ncn(CCOC)c(=O)c3c2Cl)cnc1N1CCC2(CC1)CC1=C(C2N)N1SC

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.41
MAPK3 P27361 3/20 0.33
MAPK1 P28482 3/20 0.33

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
SCHEMBL24879113 0.88 PTPN11 (0.40) PTPN11MAPK3MAPK1
SCHEMBL24879097 0.85 PTPN11 (0.44) PTPN11
SCHEMBL24879262 0.83 PTPN11 (0.36) PTPN11MAPK3MAPK1
SCHEMBL27453179 0.83 PTPN11 (0.48) PTPN11
SCHEMBL30110978 0.82 PTPN11 (0.48) PTPN11
SCHEMBL24879494 0.82 PTPN11 (0.48) PTPN11
SCHEMBL24878771 0.81 PTPN11 (0.47) PTPN11
SCHEMBL30110986 0.81 PTPN11 (0.65) PTPN11MAPK3MAPK1
SCHEMBL30111120 0.81 PTPN11 (0.47) PTPN11
SCHEMBL24878963 0.81 PTPN11 (0.65) PTPN11MAPK3MAPK1

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
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 WO disclosed