SCHEMBL14224355

SCHEMBL14224355

OCCCOc1cccc(Nc2nccc(-c3cnc(-c4cccc(OCc5ccccc5)c4)[nH]3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.55
SRC P12931 2/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
BCR P11274 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
PTK6 Q13882 1/20 0.44
MET P08581 1/20 0.42
JAK2 O60674 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
CSNK2A1 P68400 1/20 0.41
GSK3B P49841 1/20 0.41
ZAP70 P43403 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CDC7 O00311 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL14224130 0.94 SYK (0.51) SYKSRCABL1EGFRBCR
SCHEMBL14224457 0.93 SYK (0.51) SYKSRCABL1EGFRBCR
SCHEMBL14224093 0.90 SYK (0.49) SYKSRCABL1EGFRBCR
SCHEMBL14196038 0.90 SYK (0.50) SYKSRCABL1EGFRBCR
SCHEMBL14195950 0.89 PIK3CG (0.53) SYKSRCABL1EGFRBCR
SCHEMBL14195964 0.87 ABL1 (0.56) SYKSRCABL1EGFRBCR
SCHEMBL14224141 0.86 SYK (0.46) SYKSRCABL1EGFRBCR
SCHEMBL14224091 0.86 SYK (0.49) SYKSRCABL1EGFRBCR
SCHEMBL14224138 0.85 SYK (0.47) SYKSRCABL1EGFRBCR
SCHEMBL14196040 0.84 SYK (0.47) SYKSRCABL1EGFRBCR

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
US-7361665-B2 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-22 US disclosed