SCHEMBL5220362

SCHEMBL5220362

O=c1ccnc(Nc2ccccn2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TAAR1 Q96RJ0 1/20 0.49
MAPK10 P53779 1/20 0.48
GFER P55789 1/20 0.48
PIM1 P11309 1/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
CDC25B P30305 1/20 0.47
CASP6 P55212 1/20 0.47
RCE1 Q9Y256 1/20 0.47
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42

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
SCHEMBL2282586 0.79 TAAR1 (0.59) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8596239 0.74 ADRA2A (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29391624 0.72 KMT2A (0.76) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL221242 0.72 KMT2A (0.76) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20394892 0.71 SMN1; SMN2 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21964613 0.71 SMN1; SMN2 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30436666 0.71 MEN1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL748172 0.70 MEN1 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3439834 0.70 VSIR (0.52) MEN1KMT2ASMN1; SMN2TAAR1GFER
SCHEMBL6175584 0.70 KMT2A (0.73) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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-1827434-A2 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER Amgen Inc. (US) 2007-09-05 EP disclosed
WO-2006060318-A2 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER AMGEN INC. (US) 2006-06-08 WO disclosed