SCHEMBL6172896

SCHEMBL6172896

CC1(Cc2ccncc2C(=O)N2CCN(c3ccccc3)CC2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.39
SLC6A9 P48067 1/20 0.38
ADAMTS5 Q9UNA0 5/20 0.38
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 2/20 0.35
MAPT P10636 1/20 0.35
MMP13 P45452 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
CNR1 P21554 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 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
SCHEMBL6175318 0.87 KCNA5 (0.41) ADAMTS5TP53MDM2MEN1USP2
SCHEMBL2932136 0.83 IGF1R (0.57) IGF1RSLC6A9TP53MDM2MEN1
SCHEMBL6171997 0.83 IGF1R (0.41) IGF1RTP53ALDH1A1TSHRKMT2A
SCHEMBL6173336 0.82 IGF1R (0.40) IGF1RALDH1A1KMT2ALMNA
SCHEMBL6172665 0.82 SLC6A9 (0.38) SLC6A9ADAMTS5TP53MDM2MEN1
SCHEMBL6171133 0.81 IGF1R (0.40) IGF1RTP53MEN1ALDH1A1KMT2A
SCHEMBL6170249 0.81 IGF1R (0.40) IGF1RTP53ALDH1A1KMT2AMAPT
SCHEMBL2938162 0.80 IGF1R (0.46) IGF1RSLC6A9TP53MDM2MEN1
SCHEMBL6174655 0.80 IGF1R (0.39) IGF1RTP53ALDH1A1KMT2AMAPT
SCHEMBL6175293 0.80 IGF1R (0.45) IGF1RTP53ALDH1A1TSHRKMT2A

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