SCHEMBL3767222

SCHEMBL3767222

CNCCNc1nc(C2C(=O)Nc3ccc(Br)cc32)c2cn(C3CCCC3)nc2n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.35
USP2 O75604 1/20 0.33
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL2076435 0.99 NQO2 (0.34) NQO2USP2ALDH1A1
SCHEMBL3773462 0.95 NQO2 (0.34) NQO2USP2ALDH1A1
Hydrochloric Acid SCHEMBL2076120 0.94 NQO2 (0.33) NQO2USP2ALDH1A1
SCHEMBL2078117 0.91 NQO2 (0.34) NQO2USP2ALDH1A1
SCHEMBL2075721 0.89 EHMT2 (0.33) NQO2USP2ALDH1A1
SCHEMBL2300436 0.87 FLT3 (0.38) NQO2USP2ALDH1A1
SCHEMBL2300439 0.87 FLT3 (0.38) NQO2USP2ALDH1A1
SCHEMBL2305299 0.87 FLT3 (0.38) NQO2USP2ALDH1A1
SCHEMBL3773901 0.87 USP2 (0.37) NQO2USP2ALDH1A1
SCHEMBL2077224 0.86 NQO2 (0.31) NQO2USP2ALDH1A1

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-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP claimed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US claimed