SCHEMBL6172121

SCHEMBL6172121

C[C@@]1(Cc2ccncc2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.44
ITGAL P20701 1/20 0.43
IGF1R P08069 3/20 0.43
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
THPO P40225 1/20 0.38
TP53 P04637 1/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRIP13 Q15645 1/20 0.35
NAMPT P43490 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL6178355 1.00 AR (0.44) ARITGALIGF1RKMT2ACYP3A4
Trifluoroacetic Acid SCHEMBL17558354 0.95 AR (0.40) ARITGALIGF1RKMT2ACYP3A4
SCHEMBL6173575 0.86 IGF1R (0.44) ARITGALIGF1RKMT2ACYP3A4
SCHEMBL6175170 0.84 IGF1R (0.44) ARITGALIGF1RKMT2ACYP3A4
SCHEMBL6175255 0.84 IGF1R (0.44) ARITGALIGF1RKMT2ACYP3A4
SCHEMBL6174483 0.84 IGF1R (0.42) ARITGALIGF1RKMT2ACYP3A4
SCHEMBL6175004 0.84 IGF1R (0.42) ARITGALIGF1RKMT2ACYP3A4
SCHEMBL6171403 0.83 IGF1R (0.43) ARITGALIGF1RKMT2ACYP3A4
SCHEMBL6172234 0.83 IGF1R (0.47) ARITGALIGF1RKMT2ACYP3A4
SCHEMBL6175141 0.83 IGF1R (0.47) ARITGALIGF1RKMT2ACYP3A4

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