SCHEMBL14196003

SCHEMBL14196003

OC1CCCN(CCCOc2cccc(Nc3nccc(-c4cnc(-c5cccc(Oc6ccccc6)c5)[nH]4)n3)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.42
SYK P43405 4/20 0.41
EGFR P00533 2/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
SRC P12931 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
CNR2 P34972 1/20 0.41
CACNA1B Q00975 2/20 0.39
JAK2 O60674 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
INSR P06213 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38

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
SCHEMBL14224087 0.94 AIMP2 (0.42) AIMP2SYKEGFRABL1BCR
SCHEMBL14195969 0.92 GSK3B (0.45) AIMP2SYKEGFRABL1BCR
SCHEMBL14224273 0.92 AIMP2 (0.45) AIMP2SYKEGFRABL1BCR
SCHEMBL14224075 0.91 AIMP2 (0.48) AIMP2SYKEGFRABL1BCR
SCHEMBL14195988 0.88 AIMP2 (0.42) AIMP2SYKEGFRABL1BCR
SCHEMBL14224074 0.88 AIMP2 (0.44) AIMP2SYKEGFRABL1BCR
SCHEMBL14224359 0.87 AIMP2 (0.48) AIMP2SYKEGFRABL1BCR
SCHEMBL14224454 0.86 AIMP2 (0.47) AIMP2SYKEGFRABL1BCR
SCHEMBL14224453 0.86 SYK (0.41) AIMP2SYKEGFRABL1BCR
SCHEMBL14224140 0.86 AIMP2 (0.50) AIMP2SYKEGFRABL1BCR

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