SCHEMBL2940646

SCHEMBL2940646

CC(Oc1cnccc1CN1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C1C)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.55
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TEAD1 P28347 1/20 0.33
SMO Q99835 2/20 0.32
CETP P11597 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CTSS P25774 1/20 0.31

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
SCHEMBL2941133 0.87 IGF1R (0.40) IGF1RSMO
SCHEMBL2934730 0.86 IGF1R (0.65) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2940648 0.84 IGF1R (0.57) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2939817 0.84 IGF1R (0.36) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2939171 0.83 IGF1R (0.65) IGF1RTEAD1SMOCETPCTSS
SCHEMBL2933710 0.82 IGF1R (0.55) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2937125 0.82 IGF1R (0.60) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2937942 0.81 IGF1R (0.64) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2938121 0.81 IGF1R (0.64) IGF1RSMO
SCHEMBL2936770 0.81 IGF1R (0.61) IGF1RLMNAMAPK1HTTSMN1; SMN2

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
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed