SCHEMBL14196017

SCHEMBL14196017

c1cc(Nc2nccc(-c3cnc(-c4cccnc4)[nH]3)n2)cc(OCCCN2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.56
BCR P11274 10/20 0.56
EGFR P00533 3/20 0.56
SRC P12931 3/20 0.56
PRKCA P17252 2/20 0.56
PRKCD Q05655 2/20 0.56
AIMP2 Q13155 1/20 0.50
ABL2 P42684 1/20 0.46
INSR P06213 1/20 0.45
IGF1R P08069 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
ACVR1 Q04771 2/20 0.44
EPHX2 P34913 1/20 0.44
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
SYK P43405 2/20 0.43

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
SCHEMBL14196025 0.94 ABL1 (0.54) ABL1BCREGFRSRCPRKCA
SCHEMBL14195960 0.93 ABL1 (0.53) ABL1BCREGFRSRCPRKCA
SCHEMBL14196020 0.93 ABL1 (0.59) ABL1BCREGFRSRCPRKCA
SCHEMBL14195957 0.91 ABL1 (0.52) ABL1BCREGFRSRCPRKCA
SCHEMBL14224358 0.91 AIMP2 (0.49) ABL1BCREGFRSRCPRKCA
SCHEMBL14195977 0.90 AIMP2 (0.51) ABL1BCREGFRSRCPRKCA
SCHEMBL14195958 0.90 ABL1 (0.51) ABL1BCREGFRSRCPRKCA
SCHEMBL14195994 0.90 AIMP2 (0.49) ABL1BCREGFRSRCPRKCA
SCHEMBL14224075 0.90 AIMP2 (0.48) ABL1BCREGFRSRCPRKCA
SCHEMBL14195964 0.86 ABL1 (0.56) ABL1BCREGFRSRCPRKCA

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