SCHEMBL17558382

SCHEMBL17558382

CC(c1ccnc(N2CCCC2=O)c1)C1(C(C)c2ccnc(N3CCCC3=O)c2)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.39
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
IDH1 O75874 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL6176024 0.87 IGF1R (0.41) IGF1RNPC1RAB9A
SCHEMBL6206323 0.85 IGF1R (0.37) IGF1RIDH1
SCHEMBL6172644 0.84 IGF1R (0.40) IGF1R
SCHEMBL6173512 0.84 ADRB1 (0.40) IGF1R
SCHEMBL6173502 0.84 IGF1R (0.38) IGF1R
SCHEMBL6174968 0.83 ITGB2 (0.39) IGF1R
SCHEMBL6174595 0.83 IGF1R (0.52) IGF1R
SCHEMBL6170998 0.83 IGF1R (0.43) IGF1RNPC1RAB9A
SCHEMBL6174494 0.82 IGF1R (0.42) IGF1R
SCHEMBL6172820 0.82 IGF1R (0.42) 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-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