SCHEMBL14764362

SCHEMBL14764362

Cc1nc2c(C)cccc2nc1NN

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41
CRHR1 P34998 2/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAD52 P43351 1/20 0.37
NSD2 O96028 1/20 0.37
PRMT5 O14744 1/20 0.34

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
SCHEMBL14764430 0.93 MAPT (0.41) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL14764633 0.83 MAPT (0.41) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL14764490 0.83 ALDH1A1 (0.41) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL14764689 0.80 NQO2 (0.56) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL12503018 0.79 MAPT (0.58) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL8604288 0.78 MAPT (0.52) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL14764528 0.76 MAPT (0.41) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL14764541 0.76 ALDH1A1 (0.37) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL20475325 0.76 RAB9A (0.53) MAPTALDH1A1RAB9APOLBMAPK1
SCHEMBL31643056 0.76 RAB9A (0.53) MAPTALDH1A1RAB9APOLBMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013034758-A1 SUBSTITUTED TRIAZOLOPYRAZINES AND USES THEREOF H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed