SCHEMBL6174453

SCHEMBL6174453

CCNC(=O)C(c1ccnc(-c2ccc(OC)cc2)c1)N1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.40
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
BRD4 O60885 1/20 0.33
CDK9 P50750 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 2/20 0.32
PTGS2 P35354 4/20 0.32
KDM1A O60341 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL6174459 0.80 IGF1R (0.38) IGF1RMAPTHTTCYP3A4CYP2C9
SCHEMBL6174468 0.79 IGF1R (0.40) IGF1RMAPTBRD4CDK9KDM1A
SCHEMBL6171970 0.77 IGF1R (0.41) IGF1RMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL2931989 0.76 IGF1R (0.56) IGF1RTSHRMAPK1POLBPTGS2
SCHEMBL6173224 0.73 LMNA (0.36) IGF1RMAPTCA1CA2PTGS2
SCHEMBL2936880 0.69 IGF1R (0.53) IGF1RTSHRMAPK1CYP3A4CYP2C9
SCHEMBL2940910 0.68 IGF1R (0.51) IGF1RTSHRMAPK1MAPTHTT
SCHEMBL2934095 0.68 SMN1; SMN2 (0.42) IGF1RMAPTHTTPTGS2HDAC1
SCHEMBL6173451 0.67 IGF1R (0.41) IGF1RMAPTCYP2C9TRPV3
SCHEMBL2937984 0.67 IGF1R (0.59) IGF1RMAPT

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
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed