SCHEMBL15445014

SCHEMBL15445014

CC(=O)c1c(Cl)nc2ccc(C)cn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
GAA P10253 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 6/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALB P02768 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40

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
SCHEMBL10242673 0.83 KMT2A (0.61) RAB9AGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL15887233 0.80 KDM4E (0.46) RAB9AGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL6012095 0.78 RAB9A (0.59) RAB9AGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL6112913 0.74 ALDH1A1 (0.69) RAB9AGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL2216793 0.74 KDM4E (0.46) RAB9AGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL28387628 0.74 KDM4E (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL2931119 0.73 ALDH1A1 (0.54) RAB9AGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL32688410 0.73 KDM4E (0.51) RAB9AGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL24242373 0.73 SMN1; SMN2 (0.42) RAB9AGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL3283016 0.72 TGFBR1 (0.55) RAB9AGAASMN1; SMN2NPC1ALDH1A1

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-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed