SCHEMBL28512254

SCHEMBL28512254

Nc1cc(Sc2cnc(N3CCC4(CC3)Cc3ccccc3C4)cn2)c(Cl)c(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 20/20 0.50
▸ KCNH2 Q12809 2/20 0.44
▸ MAPK3 P27361 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL20350477 0.87 PTPN11 (0.53) PTPN11KCNH2
SCHEMBL23024432 0.85 PTPN11 (0.59) PTPN11KCNH2MAPK3MAPK1
Hydrochloric Acid SCHEMBL21383923 0.84 PTPN11 (0.58) PTPN11KCNH2MAPK3MAPK1
Hydrochloric Acid SCHEMBL23024532 0.84 PTPN11 (0.58) PTPN11KCNH2MAPK3MAPK1
SCHEMBL31657077 0.84 PTPN11 (0.52) PTPN11KCNH2
SCHEMBL31657083 0.83 PTPN11 (0.72) PTPN11KCNH2
SCHEMBL20350465 0.82 PTPN11 (0.51) PTPN11KCNH2
SCHEMBL28506515 0.82 PTPN11 (0.65) PTPN11KCNH2MAPK3MAPK1
SCHEMBL20350461 0.81 PTPN11 (0.54) PTPN11KCNH2MAPK3MAPK1
SCHEMBL20350644 0.81 PTPN11 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112166110-B SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-08-11 — — CN disclosed
CN-112166110-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2021-01-01 — — CN disclosed
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