SCHEMBL2329646

SCHEMBL2329646

O=c1[nH]c2cnc3cccnc3c2n1CCN1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.40
MTOR P42345 3/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1B P35368 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR7 P34969 2/20 0.37
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL2326516 0.74 ADORA3 (0.45) PIK3CAMTORLMNA
SCHEMBL11196707 0.69 HTR7 (0.69) ALDH1A1SMN1; SMN2HPGDMAPK1HTR7
SCHEMBL737292 0.66 DAO (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10HTR7
SCHEMBL4380182 0.66 KDM4E (0.49) PIK3CAMTORALDH1A1SMN1; SMN2KDM4E
SCHEMBL2326904 0.66 ATM (0.61) PIK3CAMTOR
SCHEMBL2329651 0.65 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL202257 0.64 MPO (0.34) SMN1; SMN2KDM4EMAPT
SCHEMBL7807008 0.62 LMNA (0.76) HTR7CYP3A4HIF1AP2RX7LMNA
SCHEMBL29971224 0.62 LMNA (0.76) HTR7CYP3A4HIF1AP2RX7LMNA
SCHEMBL1564239 0.61 GRIN1 (0.55) GRIN1GRIN2B

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-2356120-A1 IMIDAZO[1,5]NAPHTHYRIDINE COMPOUNDS, THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2011-08-17 EP disclosed
WO-2010038165-A1 IMIDAZO[1,5]NAPHTHYRIDINE COMPOUNDS, THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2010-04-08 WO disclosed