SCHEMBL6171829

SCHEMBL6171829

CC(c1ccnc2c(Cl)cccc12)C1(C(C)c2ccnc3c(Cl)cccc23)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.42
AR P10275 3/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
CYP2C9 P11712 1/20 0.32
THRB P10828 1/20 0.31
TP53 P04637 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSNK2A1 P68400 1/20 0.31
HIPK4 Q8NE63 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
NR4A2 P43354 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
SCHEMBL6171628 0.90 IGF1R (0.42) IGF1RARMAPTKMT2ATP53
SCHEMBL6175187 0.90 IGF1R (0.42) IGF1RARMAPTKMT2ATHRB
SCHEMBL6172276 0.89 IGF1R (0.41) IGF1RARMAPTKMT2ACYP2C9
SCHEMBL6172723 0.88 IGF1R (0.41) IGF1RARKMT2ATP53TRPV3
SCHEMBL6172616 0.88 IGF1R (0.41) IGF1RARMAPTKMT2ATP53
SCHEMBL6173870 0.86 IGF1R (0.43) IGF1RARMAPTKMT2ACYP2C9
SCHEMBL6175295 0.85 POLB (0.35) ARMAPTCYP2C9
SCHEMBL6174619 0.82 IGF1R (0.43) IGF1RARMAPTKMT2ACYP2C9
SCHEMBL6174716 0.82 KMT2A (0.36) IGF1RARMAPTKMT2ACYP2C9
SCHEMBL6173625 0.80 IGF1R (0.44) IGF1RARMAPTKMT2ATHRB

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