SCHEMBL6172238

SCHEMBL6172238

CC(c1cc(N2CCCCC2)nc2ccccc12)C1(C(C)c2cc(N3CCCCC3)nc3ccccc23)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
PDE2A O00408 4/20 0.36
IGF1R P08069 4/20 0.34
TRPV4 Q9HBA0 1/20 0.34
ELANE P08246 1/20 0.33
NCF1 P14598 2/20 0.32
ADRB1 P08588 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
BCL2 P10415 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
SCHEMBL6175541 0.87 MCHR1 (0.41) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL6171062 0.85 IGF1R (0.35) PDE2AIGF1RTRPV4
SCHEMBL6171361 0.85 IGF1R (0.37) PDE2AIGF1RTRPV4
SCHEMBL6173736 0.85 IGF1R (0.38) PDE2AIGF1R
SCHEMBL6177111 0.84 IGF1R (0.40) PDE2AIGF1R
SCHEMBL6173598 0.81 IGF1R (0.39) PDE2AIGF1RNPC1RAB9A
SCHEMBL6176997 0.81 KDM4E (0.42) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL6176994 0.81 KDM4E (0.40) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL6171644 0.80 IGF1R (0.33) PDE2AIGF1RTRPV4NPC1RAB9A
SCHEMBL6176024 0.79 IGF1R (0.41) PDE2AIGF1RNPC1RAB9AITGB2

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