SCHEMBL23047313

SCHEMBL23047313

CN(C)[S+]([O-])c1ccc(-c2nn(-c3ccc(NC=O)cc3)c3ncnc(N)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 11/20 0.47
▸ EGFR P00533 8/20 0.47
▸ ATR Q13535 1/20 0.42
▸ ABL1 P00519 7/20 0.40
▸ KDR P35968 7/20 0.40
▸ MTOR P42345 6/20 0.40
▸ HCK P08631 6/20 0.40
▸ PIK3CD O00329 5/20 0.40
▸ PIK3CA P42336 5/20 0.40
▸ PIK3CG P48736 5/20 0.40
▸ EPHB4 P54760 5/20 0.40
▸ PRKDC P78527 5/20 0.40
▸ PI4KB Q9UBF8 5/20 0.40
▸ LIMK1 P53667 2/20 0.38
▸ PIK3CB P42338 4/20 0.38
▸ LCK P06239 3/20 0.37
▸ PDGFRA P16234 3/20 0.37
▸ BTK Q06187 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37

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
SCHEMBL20878976 0.83 SRC (0.49) SRCEGFRATRABL1KDR
SCHEMBL19683619 0.81 SRC (0.56) SRCEGFRATRABL1KDR
SCHEMBL19683865 0.80 SRC (0.52) SRCEGFRATRABL1KDR
SCHEMBL19683651 0.77 SRC (0.49) SRCEGFRATRABL1KDR
SCHEMBL19683638 0.76 SRC (0.49) SRCEGFRATRABL1KDR
SCHEMBL20878948 0.76 SRC (0.55) SRCEGFRATRABL1KDR
SCHEMBL19683785 0.75 EGFR (0.46) SRCEGFRATRABL1KDR
SCHEMBL19683742 0.73 KIT (0.47) SRCEGFRATRABL1KDR
SCHEMBL23170462 0.73 SRC (0.71) SRCEGFRABL1KDRMTOR
SCHEMBL20878975 0.72 ADK (0.47) SRCEGFRLCKPDGFRABTK

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-3466952-B1 1-(4-(4-AMINO-3-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)-PHENYL)-UREA DERIVATIVES AS FLT3 KINASE INHIBITORS FOR TREATING CANCER PRECEDO PHARMACEUTICALS CO LTD (CN) 2021-03-03 — — EP disclosed
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