SCHEMBL5129183

SCHEMBL5129183

CC(=O)Nc1ccc(-c2ccc3nc(N)nc(OCc4ccccc4)c3c2)cc1.CCCOc1nc(N)nc2ccc(-c3ccc(NC(C)=O)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.49
JAK2 O60674 1/20 0.43
FDPS P14324 1/20 0.42
TSHR P16473 1/20 0.41
MOK Q9UQ07 3/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PPIA P62937 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAP4K4 O95819 1/20 0.40
CSF1R P07333 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40
MTOR P42345 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
SCHEMBL3341282 0.94 GHSR (0.54) GHSRJAK2FDPSTSHRCYP11B1
SCHEMBL3340775 0.92 MAPK10 (0.44) GHSRFDPSMOKMEN1KMT2A
SCHEMBL5129448 0.90 JAK2 (0.43) GHSRJAK2FDPSTSHRMOK
SCHEMBL3335821 0.87 HPGD (0.44) GHSRFDPSMOKTDP1MEN1
SCHEMBL3335192 0.84 TTK (0.47) GHSRFDPSMOKTDP1MEN1
SCHEMBL3337175 0.83 MOK (0.46) GHSRFDPSMOKMEN1KMT2A
SCHEMBL3340079 0.83 JAK2 (0.47) GHSRJAK2FDPSTSHRCYP11B1
SCHEMBL3339894 0.81 BRAF (0.47) FDPSMOKMEN1KMT2AKDM4E
SCHEMBL3335286 0.80 RAB9A (0.56) JAK2FDPSCYP11B1CYP11B2PPIA
SCHEMBL3335960 0.79 KMT2A (0.46) GHSRMEN1KMT2AKDM4ESMN1; 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
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed