SCHEMBL9639615

SCHEMBL9639615

Nc1ccccc1C(=O)c1nc2ncncc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 3/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
PDE10A Q9Y233 3/20 0.34
GRIN2B Q13224 1/20 0.34
HTR6 P50406 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
NPY5R Q15761 1/20 0.33
KMT2A Q03164 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
SCHEMBL788792 0.75 METAP2 (0.42) METAP2METAP1PKN1PKN2GRIN2B
SCHEMBL788096 0.74 METAP2 (0.43) METAP2METAP1HSD17B10GRIN2BKDM4E
SCHEMBL5349501 0.74 METAP2 (0.43) METAP2METAP1PKN1PKN2PDE10A
SCHEMBL7771672 0.72 METAP2 (0.42) METAP2METAP1GRIN2BNPY5RKMT2A
SCHEMBL4521139 0.72 METAP2 (0.42) METAP2METAP1PDE10AGRIN2BNPY5R
SCHEMBL28203630 0.70 METAP2 (0.38) METAP2METAP1PKN1PKN2GRIN2B
SCHEMBL27233072 0.69 KDM4E (0.58) METAP2METAP1MAPTRAB9AKDM4E
SCHEMBL7576752 0.69 METAP2 (0.42) METAP2METAP1PKN1PKN2NPY5R
SCHEMBL1907596 0.69 METAP2 (0.36) METAP2METAP1PDE10AGRIN2BNPY5R
SCHEMBL19207483 0.69 METAP2 (0.39) METAP2METAP1GRIN2BNPY5RENPP1

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
US-5153180-A Used for treating aids BURROUGHS WELLCOME CO. 1992-10-06 US disclosed
US-4963662-A Fluorinated nucleosides and method for treating retrovirus infections therewith AKADEMIE DER WISSENSCHAFTEN DER DDR (DD) 1990-10-16 US disclosed