SCHEMBL7883229

SCHEMBL7883229

Bc1c(C(C)NC(=O)CS(C)(=O)=O)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.38
NPC1 O15118 7/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 8/20 0.35
MEN1 O00255 7/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
TNIK Q9UKE5 1/20 0.34
MAPK1 P28482 1/20 0.33
CDK9 P50750 1/20 0.33
MAPT P10636 2/20 0.33
CASP3 P42574 1/20 0.33
BLM P54132 1/20 0.33
NCOA1 Q15788 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL7880932 0.91 RAB9A (0.38) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7884506 0.89 RAB9A (0.37) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL10235278 0.83 KDR (0.35) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL10239355 0.83 RAB9A (0.38) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7879810 0.81 RAB9A (0.36) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7882322 0.79 RAB9A (0.35) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7879748 0.78 RAB9A (0.36) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7882870 0.78 RAB9A (0.36) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7882334 0.77 RAB9A (0.38) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7882864 0.77 RAB9A (0.36) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2

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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed