SCHEMBL6176554

SCHEMBL6176554

CC(=O)Nc1cc(C(C)C2(C(C)c3ccnc(NC(C)=O)c3)NC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.42
IGF1R P08069 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 3/20 0.38
AAK1 Q2M2I8 2/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KIT P10721 1/20 0.36
PDE2A O00408 2/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
DYRK1A Q13627 1/20 0.36
ACACB O00763 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
SCHEMBL6174597 0.91 MAPK1 (0.38) BRAFIGF1RMAPK1CYP3A4AAK1
SCHEMBL6172274 0.89 CYP3A4 (0.40) MAPK1CYP3A4GAACYP2C9CYP2C19
SCHEMBL6176257 0.89 MAPT (0.41) IGF1RMAPK1CYP3A4AAK1GAA
SCHEMBL6171179 0.89 POLB (0.37) IGF1RMAPK1CYP3A4GAACYP2C9
SCHEMBL6174561 0.88 IGF1R (0.40) IGF1RMAPK1CYP3A4GAACYP2C9
SCHEMBL6171136 0.88 CYP3A4 (0.47) ADORA3CYP3A4THRBGAACYP2C9
SCHEMBL6173825 0.88 MAPK1 (0.42) BRAFIGF1RMAPK1HTTMAPT
SCHEMBL6176861 0.88 PDE2A (0.39) MAPK1CYP3A4GAACYP2C9CYP2C19
SCHEMBL6175553 0.88 NPC1 (0.40) MAPK1CYP3A4GAACYP2C9CYP2C19
SCHEMBL6172626 0.88 IGF1R (0.40) IGF1RMAPK1CYP3A4GAACYP2C9

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