SCHEMBL14224086

SCHEMBL14224086

OCCN1CCN(CCCOc2cccc(Nc3nccc(-c4cnc(-c5cccc(-c6ccccc6)c5)[nH]4)n3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.49
EGFR P00533 3/20 0.45
SRC P12931 2/20 0.45
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
JAK2 O60674 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
SYK P43405 5/20 0.42
ERBB2 P04626 2/20 0.40
PTK6 Q13882 2/20 0.40
GSK3B P49841 2/20 0.40
PDGFRB P09619 1/20 0.40
INSR P06213 1/20 0.40
IGF1R P08069 1/20 0.40
MET P08581 1/20 0.40
CDK2 P24941 1/20 0.40
KDR P35968 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
SCHEMBL14224359 0.94 AIMP2 (0.48) AIMP2EGFRSRCABL1BCR
SCHEMBL14224358 0.93 AIMP2 (0.49) AIMP2EGFRSRCABL1BCR
SCHEMBL14224093 0.93 SYK (0.49) AIMP2EGFRSRCABL1BCR
SCHEMBL14196029 0.92 AIMP2 (0.49) AIMP2EGFRSRCABL1BCR
SCHEMBL14224274 0.92 AIMP2 (0.51) AIMP2EGFRSRCABL1BCR
SCHEMBL14195967 0.92 AIMP2 (0.51) AIMP2EGFRSRCABL1BCR
SCHEMBL14196022 0.92 AIMP2 (0.51) AIMP2EGFRSRCABL1BCR
SCHEMBL14224356 0.92 AIMP2 (0.48) AIMP2EGFRSRCABL1BCR
SCHEMBL14195960 0.92 ABL1 (0.53) AIMP2EGFRSRCABL1BCR
SCHEMBL14224272 0.91 AIMP2 (0.45) AIMP2EGFRSRCABL1BCR

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