SCHEMBL6173546

SCHEMBL6173546

CC(c1ccncc1N)C1(C(C)c2ccncc2N)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
IGF1R P08069 2/20 0.35
AR P10275 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
NAMPT P43490 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
MBOAT4 Q96T53 1/20 0.31
THRB P10828 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL6173750 0.89 KMT2A (0.39) KMT2AIGF1RARALDH1A1CYP2C9
SCHEMBL6176692 0.89 KMT2A (0.36) KMT2AIGF1RARALDH1A1CYP2C9
SCHEMBL6174716 0.88 KMT2A (0.36) KMT2AIGF1RARALDH1A1CYP2C9
SCHEMBL6177902 0.87 CYP2C9 (0.35) KMT2AIGF1RARALDH1A1CYP2C9
SCHEMBL6171082 0.86 ALDH1A1 (0.35) KMT2AIGF1RARALDH1A1CYP2C9
SCHEMBL6177145 0.86 IGF1R (0.40) KMT2AIGF1RARALDH1A1CYP2C9
SCHEMBL6172022 0.86 KMT2A (0.36) KMT2AIGF1RARALDH1A1CYP2C9
SCHEMBL6172519 0.86 IGF1R (0.38) KMT2AIGF1RARALDH1A1CYP2C9
SCHEMBL6170701 0.85 IGF1R (0.37) KMT2AIGF1RARALDH1A1CYP2C9
SCHEMBL6173613 0.85 KIF11 (0.37) KMT2AIGF1RALDH1A1CYP2C9TP53

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