SCHEMBL14224141

SCHEMBL14224141

OCC1CCN(CCCOc2cccc(Nc3nccc(-c4cnc(-c5cccc(OCc6ccccc6)c5)[nH]4)n3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.46
AIMP2 Q13155 1/20 0.43
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PTK6 Q13882 2/20 0.39
JAK2 O60674 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
MET P08581 3/20 0.38
ACVR1 Q04771 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
SCHEMBL14224074 0.93 AIMP2 (0.44) SYKAIMP2ABL1BCREGFR
SCHEMBL14224272 0.93 AIMP2 (0.45) SYKAIMP2ABL1BCREGFR
SCHEMBL14196023 0.92 AIMP2 (0.45) SYKAIMP2ABL1BCREGFR
SCHEMBL14224093 0.92 SYK (0.49) SYKAIMP2ABL1BCREGFR
SCHEMBL14195968 0.91 AIMP2 (0.46) SYKAIMP2ABL1BCREGFR
SCHEMBL14224091 0.91 SYK (0.49) SYKAIMP2ABL1BCREGFR
SCHEMBL14196027 0.90 AIMP2 (0.46) SYKAIMP2ABL1BCREGFR
SCHEMBL14195958 0.89 ABL1 (0.51) SYKAIMP2ABL1BCREGFR
SCHEMBL14195989 0.86 AIMP2 (0.45) SYKAIMP2ABL1BCREGFR
SCHEMBL14224355 0.86 SYK (0.55) SYKABL1BCREGFRSRC

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