SCHEMBL6174684

SCHEMBL6174684

COc1cnc2ccccc2c1C(C)C1(C(C)c2c(OC)cnc3ccccc23)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
IGF1R P08069 11/20 0.33
AR P10275 1/20 0.32
BUB1 O43683 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
SCHEMBL6174520 0.88 IGF1R (0.38) IGF1RAR
SCHEMBL6173938 0.87 GABRP (0.38) P2RX3GABRPGABRDGABRA1GABRB1
SCHEMBL6174509 0.87 IGF1R (0.39) IGF1RAR
SCHEMBL6174100 0.86 IGF1R (0.36) IGF1RAR
SCHEMBL6170972 0.85 IGF1R (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6171644 0.83 IGF1R (0.33) IGF1RAR
SCHEMBL6172848 0.80 LMNA (0.38) P2RX3GABRPGABRDGABRA1GABRB1
SCHEMBL6172846 0.79 IGF1R (0.36) P2RX3GABRPGABRDGABRA1GABRB1
SCHEMBL6171062 0.76 IGF1R (0.35) IGF1R
SCHEMBL6171361 0.76 IGF1R (0.37) IGF1R

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