SCHEMBL5361563

SCHEMBL5361563

COc1ccc(N2CCC([As](C)C)C2)cc1Nc1ncc(Br)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 11/20 0.61
▸ ALK Q9UM73 7/20 0.60
▸ EGFR P00533 3/20 0.60
▸ IGF1R P08069 3/20 0.60
▸ PTK2 Q05397 3/20 0.60
▸ PTK2B Q14289 3/20 0.60
▸ PLK4 O00444 2/20 0.60
▸ CHEK1 O14757 2/20 0.60
▸ AURKA O14965 2/20 0.60
▸ DCLK1 O15075 2/20 0.60
▸ PDPK1 O15530 2/20 0.60
▸ DAPK3 O43293 2/20 0.60
▸ JAK2 O60674 2/20 0.60
▸ ROCK2 O75116 2/20 0.60
▸ PRKD3 O94806 2/20 0.60
▸ MAP4K4 O95819 2/20 0.60
▸ PAK4 O96013 2/20 0.60
▸ CHEK2 O96017 2/20 0.60
▸ ERBB2 P04626 2/20 0.60
▸ NTRK1 P04629 2/20 0.60

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
SCHEMBL4096592 0.89 ZAP70 (0.78) ZAP70ALKEGFRIGF1RPTK2
SCHEMBL4089370 0.89 ALK (0.68) ZAP70ALKEGFRIGF1RPTK2
SCHEMBL4093702 0.88 ALK (0.70) ZAP70ALKEGFRIGF1RPTK2
SCHEMBL4100115 0.87 ALK (0.63) ZAP70ALKEGFRIGF1RPTK2
SCHEMBL4089503 0.86 ALK (0.70) ZAP70ALKEGFRIGF1RPTK2
SCHEMBL4095865 0.86 ULK1 (0.74) ZAP70ALKEGFRIGF1RPTK2
SCHEMBL4100866 0.85 ALK (0.66) ZAP70ALKEGFRIGF1RPTK2
SCHEMBL4103561 0.85 ULK1 (0.67) ZAP70ALKEGFRIGF1RPTK2
SCHEMBL4099025 0.81 EGFR (0.71) ZAP70ALKEGFRIGF1RPTK2
SCHEMBL4096523 0.80 ALK (0.80) ZAP70ALKEGFRIGF1RPTK2

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-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 — — EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 — — WO disclosed
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