SCHEMBL5839451

SCHEMBL5839451

N#Cc1cccc(Nc2nc(Cl)nc3[nH]cnc23)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
ABCG2 Q9UNQ0 6/20 0.45
EGFR P00533 2/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
CDC7 O00311 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ZAP70 P43403 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
SCHEMBL3001568 0.83 BRAF (0.53) SYKEGFR
SCHEMBL21473892 0.82 BRAF (0.46) SYKMAPT
SCHEMBL5839456 0.82 TNNI3K (0.60)
SCHEMBL2995190 0.81 BRAF (0.52) SYKEGFRCSNK2A1
SCHEMBL2995233 0.81 BRAF (0.51) ABCG2EGFRCSNK2A1
SCHEMBL3001378 0.80 NFKB1 (0.46) EGFRMAPT
SCHEMBL24862147 0.78 BRAF (0.40) EGFR
SCHEMBL5839044 0.78 BRAF (0.54) TP53MAPT
SCHEMBL30719583 0.78 NPC1 (0.54) SYKABCG2EGFR
SCHEMBL3004036 0.78 NPC1 (0.54) SYKABCG2EGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 WO disclosed