SCHEMBL27076084

SCHEMBL27076084

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc3c(c2NS(C)(=O)=O)OCCO3)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.75
▸ ALK Q9UM73 10/20 0.69
▸ INSR P06213 8/20 0.69
▸ IGF1R P08069 8/20 0.69
▸ MET P08581 3/20 0.66
▸ CHEK1 O14757 2/20 0.64
▸ AURKA O14965 2/20 0.64
▸ NUAK1 O60285 2/20 0.64
▸ JAK2 O60674 2/20 0.64
▸ STK10 O94804 2/20 0.64
▸ PRKD3 O94806 2/20 0.64
▸ CHEK2 O96017 2/20 0.64
▸ ABL1 P00519 2/20 0.64
▸ ERBB2 P04626 2/20 0.64
▸ LCK P06239 2/20 0.64
▸ FYN P06241 2/20 0.64
▸ FES P07332 2/20 0.64
▸ CSF1R P07333 2/20 0.64
▸ YES1 P07947 2/20 0.64
▸ LYN P07948 2/20 0.64

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
SCHEMBL30015158 1.00 EGFR (0.75) EGFRALKINSRIGF1RMET
SCHEMBL24992286 0.89 EGFR (0.75) EGFRALKINSRIGF1RMET
SCHEMBL26906519 0.86 EGFR (0.77) EGFRALKINSRIGF1RMET
SCHEMBL26906894 0.86 EGFR (0.86) EGFRALKINSRIGF1RMET
SCHEMBL21846986 0.86 EGFR (1.00) EGFRALKINSRIGF1RMET
SCHEMBL29904660 0.86 EGFR (0.76) EGFRALKINSRIGF1RMET
SCHEMBL26906933 0.86 EGFR (0.76) EGFRALKINSRIGF1RMET
SCHEMBL27075991 0.85 EGFR (0.61) EGFRALKINSRIGF1RMET
SCHEMBL30014736 0.85 EGFR (0.61) EGFRALKINSRIGF1RMET
SCHEMBL26906684 0.85 EGFR (0.87) EGFRALKINSRIGF1RMET

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
EP-4313969-A1 N2-PHENYLPYRIMIDINE-2,4-DIAMINE COMPOUNDS, AND PREPARATION METHODS AND METHODS OF USE THEREOF Bridge Biotherapeutics, Inc. (KR) 2024-02-07 — — EP disclosed
CN-117203199-A N2-phenylpyrimidine-2, 4-diamine compounds, methods of making and using the same 毕利吉生物科技股份有限公司 2023-12-08 — — CN disclosed
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