SCHEMBL6170972

SCHEMBL6170972

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.45
MAPT P10636 2/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL6171811 0.89 IGF1R (0.47) IGF1RMAPTKMT2ATHRBAR
SCHEMBL6175309 0.88 IGF1R (0.46) IGF1RMAPTKMT2ATHRBAR
SCHEMBL6175506 0.86 IGF1R (0.45) IGF1RMAPTKMT2AARLMNA
SCHEMBL6173938 0.86 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6174684 0.85 P2RX3 (0.35) IGF1RGABRPGABRDGABRA1GABRB1
SCHEMBL6172276 0.79 IGF1R (0.41) IGF1RMAPTALDH1A1KMT2ATHRB
SCHEMBL6174482 0.79 IGF1R (0.41) IGF1RMAPTALDH1A1KMT2ATHRB
SCHEMBL6173607 0.79 IGF1R (0.42) IGF1RMAPTALDH1A1KMT2ATHRB
SCHEMBL6174593 0.75 IGF1R (0.42) IGF1RMAPTALDH1A1KMT2ATHRB
SCHEMBL6172518 0.75 IGF1R (0.42) IGF1RMAPTKMT2ATHRBMEN1

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