SCHEMBL6175864

SCHEMBL6175864

CNC(=O)C(c1ccncc1-c1ccccc1OC)C1(C)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
P2RX3 P56373 2/20 0.36
IGF1R P08069 10/20 0.35
SLC22A12 Q96S37 2/20 0.35
GAA P10253 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
HASPIN Q8TF76 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
MAPT P10636 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
SCHEMBL6170630 0.84 IGF1R (0.39) ALDH1A1IGF1RSLC22A12GAACYP3A4
SCHEMBL6175120 0.70 IGF1R (0.45) ALDH1A1IGF1RSLC22A12GAACYP3A4
SCHEMBL6171982 0.69 IGF1R (0.41) IGF1RGAACYP2C9
SCHEMBL6173832 0.68 IGF1R (0.40) ALDH1A1IGF1RSLC22A12
SCHEMBL6174769 0.68 IGF1R (0.39) ALDH1A1IGF1R
SCHEMBL6178331 0.67 CYP3A4 (0.41) ALDH1A1IGF1RSLC22A12GAACYP3A4
SCHEMBL6171813 0.67 IGF1R (0.41) ALDH1A1IGF1RGAACYP3A4CYP2C9
SCHEMBL6172761 0.66 IGF1R (0.42) ALDH1A1IGF1R
SCHEMBL6173549 0.66 IGF1R (0.43) ALDH1A1IGF1RGAACYP3A4CYP2C9
SCHEMBL6172569 0.66 IGF1R (0.36) ALDH1A1P2RX3IGF1RGAACYP3A4

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