SCHEMBL1129455

SCHEMBL1129455

NC(=O)OC(Cc1ccccc1)[C@H]1CC[C@H](c2ncc3c(Cl)nccn32)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.37
PDE1C Q14123 2/20 0.36
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 1/20 0.35
HTT P42858 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CAPN1 P07384 1/20 0.34
TNK2 Q07912 3/20 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
SCHEMBL1129220 0.83 IGF1R (0.41) IGF1RTNK2
SCHEMBL2327637 0.81 CNR2 (0.40) IGF1RPDE1CCNR2HTTPDE1A
SCHEMBL1129269 0.77 IGF1R (0.48) IGF1RTNK2
SCHEMBL27671106 0.75 SRR (0.44) HDAC8
SCHEMBL593236 0.74 SMN1; SMN2 (0.50) HTT
SCHEMBL593254 0.74 PDE1C (0.38) IGF1RPDE1CHTTPDE1APDE1B
SCHEMBL593256 0.74 PDE1C (0.38) IGF1RPDE1CHTTPDE1APDE1B
SCHEMBL1129460 0.73 TNK2 (0.57) IGF1RTNK2
SCHEMBL16748877 0.73 PDE1C (0.44) PDE1CPDE1APDE1BTNK2
SCHEMBL25277153 0.72 PIK3CA (0.42) IGF1RPDE1CPDE1APDE1BTNK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed