SCHEMBL17144883

SCHEMBL17144883

C[C@]1(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C[C@@H](N2CCC2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 16/20 0.71
INSR P06213 8/20 0.71
SRC P12931 7/20 0.71
LYN P07948 6/20 0.71
ROCK2 O75116 5/20 0.71
RET P07949 3/20 0.71
ACVR1 Q04771 2/20 0.71
MAP4K2 Q12851 2/20 0.71
PTK6 Q13882 2/20 0.71
MAP4K5 Q9Y4K4 2/20 0.71
BMPR1B O00238 1/20 0.71
RIPK2 O43353 1/20 0.71
LATS1 O95835 1/20 0.71
YES1 P07947 1/20 0.71
HCK P08631 1/20 0.71
FECH P22830 1/20 0.71
MAP2K2 P36507 1/20 0.71
CSNK1E P49674 1/20 0.71
MAP2K1 Q02750 1/20 0.71
STK4 Q13043 1/20 0.71

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
SCHEMBL171201 0.89 IGF1R (0.71) IGF1RINSRSRCLYNROCK2
SCHEMBL5936204 0.83 IGF1R (0.97) IGF1RINSRSRCLYNROCK2
Aew-541 SCHEMBL29358691 0.83 IGF1R (1.00) IGF1RINSRSRCLYNROCK2
SCHEMBL5936235 0.83 IGF1R (0.97) IGF1RINSRSRCLYNROCK2
SCHEMBL5936200 0.83 IGF1R (0.97) IGF1RINSRSRCLYNROCK2
SCHEMBL5936262 0.81 IGF1R (1.00) IGF1RINSRSRCLYNROCK2
SCHEMBL5936264 0.81 IGF1R (1.00) IGF1RINSRSRCLYNROCK2
SCHEMBL5936382 0.81 IGF1R (1.00) IGF1RINSRSRCLYNROCK2
SCHEMBL5936306 0.81 IGF1R (0.98) IGF1RINSRSRCLYNROCK2
SCHEMBL5936303 0.81 IGF1R (0.98) IGF1RINSRSRCLYNROCK2

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-3125881-A1 SUPRAMOLECULAR COMBINATORIAL THERAPEUTICS Invictus Oncology Pvt. Ltd. (IN) 2017-02-08 EP disclosed
WO-2015153345-A1 SUPRAMOLECULAR COMBINATORIAL THERAPEUTICS INVICTUS ONCOLOGY PVT. LTD. (IN) 2015-10-08 WO disclosed