SCHEMBL21028593

SCHEMBL21028593

CCCc1cnc(-n2ccc(C)n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TDO2 P48775 1/20 0.36
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM5A P29375 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
HTT P42858 1/20 0.33
SLC34A1 Q06495 1/20 0.32
BACE1 P56817 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL18855227 0.89 MAPT (0.49) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL14397927 0.78 RAB9A (0.45) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL232012 0.78 MAPT (0.55) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL14757505 0.77 MAPT (0.50) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL19216317 0.73 MAPT (0.50) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL19779317 0.73 KDM4E (0.43) KDM4EALDH1A1
SCHEMBL12640005 0.73 MAPT (0.42) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL15306569 0.71 MAPT (0.47) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL179317 0.71 MAPT (0.47) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL10162160 0.71 L3MBTL1 (0.47) MAPTRAB9ANPC1ATMSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 EP disclosed