SCHEMBL14224271

SCHEMBL14224271

OCCNCCCOc1cccc(Nc2nccc(-c3cnc(-c4cccc(-c5ccccc5)c4)[nH]3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.46
BCR P11274 3/20 0.46
PRKCA P17252 3/20 0.46
SRC P12931 2/20 0.46
PRKCD Q05655 2/20 0.46
EGFR P00533 1/20 0.46
SYK P43405 5/20 0.42
GSK3B P49841 3/20 0.42
PIK3CG P48736 3/20 0.42
MAPK8 P45983 2/20 0.42
CAMKK2 Q96RR4 2/20 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
CDC7 O00311 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PDGFRB P09619 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
SCHEMBL14224138 0.94 SYK (0.47) ABL1BCRPRKCASRCPRKCD
SCHEMBL14224457 0.92 SYK (0.51) ABL1BCRPRKCASRCPRKCD
SCHEMBL14196041 0.92 SYK (0.47) ABL1BCRPRKCASRCPRKCD
SCHEMBL14195955 0.92 ABL1 (0.53) ABL1BCRPRKCASRCPRKCD
SCHEMBL14224080 0.91 GSK3B (0.47) ABL1BCRPRKCASRCPRKCD
SCHEMBL14196034 0.91 ABL1 (0.47) ABL1BCRPRKCASRCPRKCD
SCHEMBL14195970 0.91 PIK3CG (0.49) ABL1BCRPRKCASRCPRKCD
SCHEMBL14224130 0.89 SYK (0.51) ABL1BCRPRKCASRCPRKCD
SCHEMBL14196040 0.89 SYK (0.47) ABL1BCRPRKCASRCPRKCD
SCHEMBL14196028 0.88 ABL1 (0.45) ABL1BCRPRKCASRCPRKCD

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