SCHEMBL7945635

SCHEMBL7945635

Cc1cnc(-c2ccoc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
CASP7 P55210 1/20 0.51
CYP3A4 P08684 5/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
HSD17B10 Q99714 3/20 0.45
TSHR P16473 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
ALOX15 P16050 2/20 0.41
CYP2D6 P10635 4/20 0.40
USP2 O75604 3/20 0.40
MAPK1 P28482 1/20 0.40
PIM1 P11309 1/20 0.40
ATR Q13535 1/20 0.38
PPARA Q07869 1/20 0.37

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
SCHEMBL2644422 0.77 ATR (0.43) MEN1KMT2AALDH1A1MAPTCYP11B1
SCHEMBL764319 0.77 CYP11B1 (0.56) CYP1A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL15599290 0.77 ABL1 (0.43) CYP1A2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL12248385 0.77 CYP11B1 (0.40) CYP1A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL14438064 0.74 HPGDS (0.42) CYP1A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12301396 0.73 CYP11B1 (0.40) CYP1A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL24654518 0.72 CYP11B1 (0.45) CYP1A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL15784437 0.71 HPGDS (0.46) MEN1KMT2ACYP3A4MAPK1
SCHEMBL10000240 0.71 KDM1A (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2716273 0.71 RAB9A (0.48) MEN1KMT2AALDH1A1MAPTHSD17B10

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
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 WO disclosed