SCHEMBL5277758

SCHEMBL5277758

[c]1cc(-c2ncccn2)no1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
CYP19A1 P11511 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
KLF5 Q13887 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1896153 0.77 KDM4E (0.56) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL1154499 0.67 MAPT (0.42) RAB9ANPC1KDM4ELMNATP53
SCHEMBL973674 0.66 CYP2A6 (0.50) RAB9ANPC1CYP19A1KDM4EALDH1A1
SCHEMBL1896855 0.63 IDO1 (0.43) RAB9ANPC1CYP19A1KDM4EALDH1A1
SCHEMBL8096488 0.62 KDM4E (0.36) RAB9ANPC1CYP19A1KDM4EALDH1A1
SCHEMBL2407790 0.61 CYP1A2 (0.51) RAB9ANPC1CYP19A1KDM4EALDH1A1
SCHEMBL171853 0.61 HDAC8 (0.47) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL1802657 0.60 CYP1A2 (0.38) RAB9ANPC1CYP19A1KDM4EALDH1A1
SCHEMBL8836004 0.60 ENPP3 (0.45) RAB9ANPC1KDM4EALDH1A1TP53
SCHEMBL4390652 0.59

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-1863797-A1 2-AZETIDINYL-4-(lH-PYRAZOL-3-YLAMINO)PYRIMIDINES AS INHIBITORS OF INSULIN-LIKE GROWTH FACTOR-I RECEPTOR ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006100461-A1 2-AZETIDINYL-4-(lH-PYRAZOL-3-YLAMINO)PYRIMIDINES AS INHIBITORS OF INSULIN-LIKE GROWTH FACTOR-I RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-09-28 WO disclosed