SCHEMBL6172569

SCHEMBL6172569

CC(c1ccncc1C(=O)Oc1ccccc1)C1(C(C)c2ccncc2C(=O)Oc2ccccc2)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
P2RX3 P56373 2/20 0.32
KMT2A Q03164 1/20 0.31
PDE2A O00408 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL6173899 0.89 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4GAACYP2C9
SCHEMBL6174315 0.88 IGF1R (0.41) IGF1RALDH1A1LMNACYP3A4GAA
SCHEMBL6171994 0.86 ALDH1A1 (0.37) IGF1RALDH1A1LMNACYP3A4GAA
SCHEMBL6171813 0.85 IGF1R (0.41) IGF1RALDH1A1LMNACYP3A4GAA
SCHEMBL6172480 0.83 IGF1R (0.39) IGF1RALDH1A1LMNACYP3A4GAA
SCHEMBL6173517 0.83 ALDH1A1 (0.36) IGF1RALDH1A1LMNAKMT2A
SCHEMBL6173832 0.82 IGF1R (0.40) IGF1RALDH1A1LMNAKMT2APDE2A
SCHEMBL6174921 0.81 IGF1R (0.43) IGF1RALDH1A1CYP3A4GAACYP2C9
SCHEMBL6174310 0.81 IGF1R (0.43) IGF1RALDH1A1CYP3A4GAACYP2C9
SCHEMBL6173549 0.81 IGF1R (0.43) IGF1RALDH1A1CYP3A4GAACYP2C9

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