SCHEMBL12428993

SCHEMBL12428993

CCCn1cc2c(C3C(=O)Nc4ccc(Br)cc43)nc(NI)nc2n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 6/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
NQO2 P16083 1/20 0.34
POLB P06746 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL2075420 0.89 USP2 (0.35) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL3769627 0.88 USP2 (0.35) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2077881 0.87 USP2 (0.35) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2077027 0.87 USP2 (0.35) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2075562 0.87 USP2 (0.35) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2077029 0.87 USP2 (0.35) USP2ALDH1A1TP53MAPTLMNA
Hydrochloric Acid SCHEMBL2076633 0.87 USP2 (0.35) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2077783 0.87 USP2 (0.34) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2077833 0.87 USP2 (0.34) USP2ALDH1A1TP53MAPTLMNA
SCHEMBL2078688 0.87 USP2 (0.34) USP2ALDH1A1TP53MAPTLMNA

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-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed