SCHEMBL24181700

SCHEMBL24181700

Clc1c(Sc2cnc(N3CCC4(CCCC4)CC3)cn2)cccc1N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 20/20 0.57
▸ KCNH2 Q12809 1/20 0.48

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
SCHEMBL21927047 0.88 PTPN11 (0.60) PTPN11KCNH2
SCHEMBL21926687 0.86 PTPN11 (0.58) PTPN11KCNH2
SCHEMBL19785449 0.86 PTPN11 (0.77) PTPN11KCNH2
SCHEMBL24878923 0.86 PTPN11 (0.58) PTPN11KCNH2
SCHEMBL24181708 0.85 PTPN11 (0.53) PTPN11KCNH2
SCHEMBL24181566 0.85 PTPN11 (0.51) PTPN11KCNH2
SCHEMBL24181556 0.83 PTPN11 (0.55) PTPN11KCNH2
SCHEMBL21927086 0.83 PTPN11 (0.54) PTPN11KCNH2
SCHEMBL21926707 0.81 PTPN11 (0.53) PTPN11KCNH2
SCHEMBL24879328 0.81 PTPN11 (0.58) PTPN11KCNH2

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-3936502-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 Suzhou Genhouse Pharmaceutical Co., Ltd. (CN) 2022-01-12 — — EP disclosed
Send feedback