SCHEMBL24181756

SCHEMBL24181756

Clc1c(Sc2cnc(N3CCC4(CCCC4)CC3)cn2)cccc1-c1cnn2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 20/20 0.48
▸ KCNH2 Q12809 2/20 0.43

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
SCHEMBL24181556 0.85 PTPN11 (0.55) PTPN11KCNH2
SCHEMBL24379052 0.83 PTPN11 (0.47) PTPN11KCNH2
SCHEMBL24181747 0.82 PTPN11 (0.63) PTPN11KCNH2
SCHEMBL24181647 0.81 PTPN11 (0.52) PTPN11KCNH2
SCHEMBL24181675 0.80 PTPN11 (0.52) PTPN11KCNH2
SCHEMBL24181981 0.80 PTPN11 (0.48) PTPN11KCNH2
SCHEMBL24181741 0.80 BMP4 (0.43) PTPN11
SCHEMBL21927047 0.80 PTPN11 (0.60) PTPN11KCNH2
SCHEMBL24181522 0.79 PTPN11 (0.53) PTPN11KCNH2
SCHEMBL24181858 0.79 PTPN11 (0.56) 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-3936502-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 Suzhou Genhouse Pharmaceutical Co., Ltd. (CN) 2022-01-12 — — EP disclosed
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