SCHEMBL7973136

SCHEMBL7973136

Clc1ccc(CNc2nc(Cl)nc3c(NCc4ccc(Cl)cc4)nc(Cl)nc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.58
CCNE1 P24864 2/20 0.58
CDK2 P24941 2/20 0.58
PDE2A O00408 1/20 0.55
APP P05067 2/20 0.50
PDE5A O76074 2/20 0.50
HSD17B10 Q99714 1/20 0.49
CDK1 P06493 2/20 0.48
EGFR P00533 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL7939004 0.85 APP (0.68) APPPDE5ACDK1KDM4EALDH1A1
SCHEMBL15619030 0.82 CCNE2 (0.68) CCNE2CCNE1CDK2APPPDE5A
SCHEMBL5828183 0.81 CCNE2 (0.52) CCNE2CCNE1CDK2PDE2AAPP
SCHEMBL11866701 0.79 CA12 (0.62) PDE2AAPPKDM4E
SCHEMBL3106597 0.77 APP (0.85) PDE2AAPPPDE5AEGFRKDM4E
SCHEMBL20164511 0.76 CDK1 (0.53) CCNE2CCNE1CDK2APPPDE5A
SCHEMBL20164596 0.76 APP (0.56) CCNE2CCNE1CDK2APPPDE5A
SCHEMBL6152647 0.75 CDK1 (0.82) CCNE2CCNE1CDK2CDK1KDM4E
SCHEMBL22866338 0.75 PDE2A (0.52) CCNE2CCNE1CDK2PDE2AHSD17B10
SCHEMBL6152650 0.74 CTSL (0.69) CCNE2CCNE1CDK2PDE2ACDK1

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
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 US disclosed