SCHEMBL14898950

SCHEMBL14898950

COc1cc(Nc2nccc(Nc3cccc(S(N)(=O)=O)c3)n2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.64
FAM20C Q8IXL6 1/20 0.61
LYN P07948 1/20 0.59
TXK P42681 1/20 0.59
SYK P43405 1/20 0.59
ROCK1 Q13464 1/20 0.58
EGFR P00533 2/20 0.58
INSR P06213 1/20 0.58
MET P08581 1/20 0.58
CDK2 P24941 1/20 0.58
KDR P35968 1/20 0.58
TEK Q02763 1/20 0.58
JAK3 P52333 3/20 0.57
JAK2 O60674 2/20 0.57
JAK1 P23458 1/20 0.56

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
SCHEMBL1116462 0.83 IGF1R (0.79) IGF1RFAM20CLYNEGFRINSR
SCHEMBL1575673 0.82 IGF1R (0.59) IGF1RFAM20CEGFRINSRMET
SCHEMBL6976694 0.82 EGFR (0.81) IGF1RFAM20CROCK1EGFRINSR
SCHEMBL6981464 0.82 IGF1R (0.78) IGF1RFAM20CLYNEGFRINSR
SCHEMBL1575537 0.81 IGF1R (0.63) IGF1RFAM20CROCK1EGFRINSR
SCHEMBL1575060 0.81 IGF1R (0.58) IGF1RFAM20CLYNTXKSYK
SCHEMBL17260972 0.80 ROCK1 (0.70) LYNTXKSYKROCK1KDR
SCHEMBL6979115 0.80 FAM20C (0.70) IGF1RFAM20CSYKEGFRINSR
SCHEMBL6976835 0.80 IGF1R (0.78) IGF1RFAM20CROCK1EGFRINSR
SCHEMBL6641667 0.79 JAK3 (0.65) IGF1RLYNTXKSYKROCK1

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-8431589-B2 2,4-diaminopyrimidine derivatives NOVARTIS AG (CH) 2013-04-30 US disclosed