SCHEMBL6172969

SCHEMBL6172969

CC(c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1)C1NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
RORC P51449 2/20 0.38
CHRM4 P08173 3/20 0.38
POLB P06746 1/20 0.38
IGF1R P08069 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DDR1 Q08345 1/20 0.36
ELANE P08246 3/20 0.36
MMP13 P45452 1/20 0.36
CCR1 P32246 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL6174834 0.84 GRM1 (0.39) IGF1RSMN1; SMN2
SCHEMBL6175142 0.83 IGF1R (0.38) IGF1RSMN1; SMN2
SCHEMBL6172184 0.83 NPC1 (0.39) IGF1RSMN1; SMN2KMT2A
SCHEMBL6173805 0.81 IGF1R (0.36) IGF1R
SCHEMBL6176514 0.81 NAMPT (0.41) CHRM4IGF1R
SCHEMBL6175133 0.79 GRM5 (0.43) POLBSMN1; SMN2
SCHEMBL6174034 0.78 CBLB (0.36) POLBIGF1R
SCHEMBL2939240 0.78 IGF1R (0.55) RORCPOLBIGF1RCYP1A2CYP2C9
SCHEMBL6175008 0.77 IGF1R (0.39) IGF1RSMN1; SMN2
SCHEMBL6173577 0.77 IGF1R (0.39) IGF1RSMN1; 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 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