SCHEMBL4692683

SCHEMBL4692683

Cc1cccc2[nH]c(I)nc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 15/20 0.53
GAA P10253 15/20 0.53
SI P14410 15/20 0.53
MGAM2 Q2M2H8 15/20 0.53
ESR1 P03372 1/20 0.50
CBFB Q13951 1/20 0.50
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL1170892 0.79 MGAM (0.71) MGAMGAASIMGAM2ESR1
SCHEMBL353891 0.79 PARP1 (0.56) MGAMGAASIMGAM2ESR1
Bromide SCHEMBL5318091 0.78 PARP1 (0.55) MGAMGAASIMGAM2ESR1
SCHEMBL3109602 0.76 MGAM (0.60) MGAMGAASIMGAM2ESR1
SCHEMBL3424862 0.76 MGAM (0.60) MGAMGAASIMGAM2ESR1
SCHEMBL17801881 0.76 MGAM (0.53) MGAMGAASIMGAM2ESR1
SCHEMBL727228 0.76 MGAM (0.53) MGAMGAASIMGAM2ESR1
SCHEMBL8956250 0.76 PSMD14 (0.39) MGAMGAASIMGAM2TDP1
SCHEMBL6139625 0.76 MGAM (0.60) MGAMGAASIMGAM2ESR1
SCHEMBL110724 0.76 MGAM (0.53) MGAMGAASIMGAM2ESR1

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-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed