SCHEMBL6171968

SCHEMBL6171968

CC(=O)NC(c1ccncc1N1CCN(C)CC1)C1(C)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ABL1 P00519 1/20 0.36
HTR2C P28335 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
TRPV4 Q9HBA0 4/20 0.34
SCN9A Q15858 2/20 0.33
SCN5A Q14524 1/20 0.33
MAP4K1 Q92918 1/20 0.33
MAPK7 Q13164 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KIT P10721 4/20 0.33
EPHX2 P34913 1/20 0.33
FLT3 P36888 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
SCHEMBL6174909 0.81 TRPV4 (0.37) CYP3A4GAACYP2C9CYP2C19KCNH2
SCHEMBL6172495 0.78 HTR2C (0.36) CYP3A4CYP2C9KCNH2ABL1HTR2C
SCHEMBL6172891 0.76 CCR6 (0.34) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6177653 0.76 TRPV4 (0.37) CYP3A4GAACYP2C9CYP2C19KCNH2
SCHEMBL6174365 0.75 HTR6 (0.35) CYP3A4GAACYP2C9CYP2C19KCNH2
SCHEMBL6173352 0.73 CYP3A4 (0.35) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6177656 0.72 LMNA (0.37) CYP3A4KCNH2ALDH1A1ABL1HTR2C
SCHEMBL6173842 0.72 PRKDC (0.36) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6175872 0.71 EPHX2 (0.40) CYP3A4GAACYP2C9CYP2C19KCNH2
SCHEMBL6174088 0.71 IGF1R (0.42) TRPV4

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