SCHEMBL6174968

SCHEMBL6174968

CC(c1ccnc(N2CCN(c3ccccn3)CC2)c1)C1(C(C)c2ccnc(N3CCN(c4ccccn4)CC3)c2)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
IGF1R P08069 12/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6172644 0.91 IGF1R (0.40) IGF1R
SCHEMBL6176024 0.91 IGF1R (0.41) ITGB2ICAM1ITGALIGF1R
SCHEMBL6173512 0.90 ADRB1 (0.40) IGF1R
SCHEMBL6173502 0.89 IGF1R (0.38) ITGB2ICAM1ITGALIGF1R
SCHEMBL17558382 0.83 IGF1R (0.39) IGF1R
SCHEMBL6175947 0.83 IGF1R (0.46) IGF1RTSHRKMT2A
SCHEMBL17558368 0.82 IGF1R (0.43) IGF1RTSHRKMT2A
SCHEMBL6172820 0.82 IGF1R (0.42) IGF1R
SCHEMBL6174494 0.82 IGF1R (0.42) IGF1R
SCHEMBL6175683 0.82 IGF1R (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed
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