SCHEMBL5027956

SCHEMBL5027956

Cc1ccc(Nc2nc(N)c(F)c(-c3ccc(CNC(N)=O)cc3)n2)cc1S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.42
▸ INSR P06213 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42

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
SCHEMBL3999462 0.77 SYK (0.67) EGFRINSRCDK1CDK2KDR
SCHEMBL27731190 0.75 NPSR1 (0.42) KMT2AMAPTALDH1A1TP53THRB
SCHEMBL4006301 0.71 SYK (0.61) EGFRINSRCDK1CDK2KDR
SCHEMBL3998474 0.69 SYK (0.65) EGFRINSRCDK1CDK2KDR
SCHEMBL4001521 0.69 SYK (0.67) EGFRINSRCDK1CDK2KDR
SCHEMBL3997586 0.68 EGFR (0.64) EGFRINSRCDK1CDK2KDR
SCHEMBL4002847 0.68 SYK (0.64) EGFRINSRCDK1CDK2KDR
SCHEMBL1473953 0.67 SYK (0.62) EGFRINSRCDK1CDK2KDR
SCHEMBL3999107 0.67 AURKA (0.62) EGFRINSRCDK1CDK2KDR
SCHEMBL5029661 0.66 ENPP3 (0.47) EGFRINSRCDK1CDK2KDR

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-1904457-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-04-02 — — EP disclosed
WO-2006133426-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2006-12-14 — — WO disclosed
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