SCHEMBL14224075

SCHEMBL14224075

c1ccc(Oc2cccc(-c3ncc(-c4ccnc(Nc5cccc(OCCCN6CCCC6)c5)n4)[nH]3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.48
CACNA1B Q00975 4/20 0.47
SYK P43405 4/20 0.47
KDM4E B2RXH2 1/20 0.46
EGFR P00533 2/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
SRC P12931 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
IGF1R P08069 2/20 0.45
INSR P06213 1/20 0.45
MET P08581 1/20 0.45
CDK2 P24941 1/20 0.45
KDR P35968 1/20 0.45
TEK Q02763 1/20 0.45
HRH3 Q9Y5N1 3/20 0.43
LTA4H P09960 1/20 0.41
JAK2 O60674 1/20 0.41
HDAC1 Q13547 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
SCHEMBL14224454 0.94 AIMP2 (0.47) AIMP2CACNA1BSYKKDM4EEGFR
SCHEMBL14224358 0.94 AIMP2 (0.49) AIMP2CACNA1BSYKEGFRABL1
SCHEMBL14224359 0.93 AIMP2 (0.48) AIMP2CACNA1BSYKKDM4EEGFR
SCHEMBL14224140 0.93 AIMP2 (0.50) AIMP2CACNA1BSYKKDM4EEGFR
SCHEMBL14224076 0.93 ABL1 (0.49) AIMP2SYKEGFRABL1BCR
SCHEMBL14224455 0.93 SYK (0.47) AIMP2CACNA1BSYKKDM4EEGFR
SCHEMBL14224273 0.92 AIMP2 (0.45) AIMP2CACNA1BSYKEGFRABL1
SCHEMBL14195977 0.91 AIMP2 (0.51) AIMP2SYKKDM4EEGFRABL1
SCHEMBL14196003 0.91 AIMP2 (0.42) AIMP2CACNA1BSYKKDM4EEGFR
SCHEMBL14224357 0.91 AIMP2 (0.48) AIMP2CACNA1BSYKEGFRABL1

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