SCHEMBL14764415

SCHEMBL14764415

Cc1nc2cccc(C)c2nc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRC P12931 2/20 0.37
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
GPR3 P46089 1/20 0.36
NQO2 P16083 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
G6PD P11413 1/20 0.36

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
SCHEMBL14764520 0.92 MAPT (0.44) MAPTRAB9AMAPK1PIM1PIM2
SCHEMBL31399980 0.88 TDP1 (0.52) MAPTRAB9AMAPK1TDP1DRD4
SCHEMBL2423180 0.88 TDP1 (0.52) MAPTRAB9AMAPK1TDP1DRD4
SCHEMBL4181275 0.84 NR1H2 (0.43) MAPTPIM1PIM2TDP1SRC
SCHEMBL8604288 0.83 MAPT (0.52) MAPTRAB9AMAPK1SRCGAA
SCHEMBL14734341 0.81 PIM1 (0.40) MAPTRAB9AMAPK1PIM1PIM2
SCHEMBL14764386 0.81 ALDH1A1 (0.42) PIM1PIM2TDP1GPR3NQO2
SCHEMBL30217825 0.81 ALDH1A1 (0.42) PIM1PIM2TDP1GPR3NQO2
SCHEMBL20475325 0.80 RAB9A (0.53) MAPTRAB9AMAPK1GAANQO2
SCHEMBL31643056 0.80 RAB9A (0.53) MAPTRAB9AMAPK1GAANQO2

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
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