SCHEMBL19003548

SCHEMBL19003548

CCCCC(C)CN1CCN(c2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.51
POLB P06746 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTR1A P08908 1/20 0.50
KCNH2 Q12809 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL10147158 0.82 IGF1R (0.59) IGF1RPOLBALDH1A1MAPTLMNA
SCHEMBL5572065 0.80 KCNH2 (0.69) POLBHTR1AKCNH2
SCHEMBL4491439 0.79 IGF1R (0.56) IGF1RPOLBALDH1A1MAPTLMNA
SCHEMBL19003598 0.79 IGF1R (0.56) IGF1RPOLBALDH1A1MAPTLMNA
SCHEMBL30874651 0.79 IGF1R (0.64) IGF1RPOLBALDH1A1MAPTLMNA
SCHEMBL4486168 0.79 IGF1R (0.56) IGF1RPOLBALDH1A1MAPTLMNA
SCHEMBL27715352 0.78 KCNH2 (0.74) POLBHTR1AKCNH2
SCHEMBL10053231 0.77 KCNH2 (0.64) POLBALDH1A1MAPTKDM4EHSD17B10
SCHEMBL3867807 0.77 KDM4E (0.64) POLBALDH1A1MAPTKDM4EHSD17B10
SCHEMBL5243910 0.76 KDM4E (0.52) POLBALDH1A1MAPTSMN1; SMN2KDM4E

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-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed