SCHEMBL11292161

SCHEMBL11292161

C=CCC(=O)c1ncc2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ PRNP P04156 2/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CCKAR P32238 1/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ MGAM O43451 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ FDPS P14324 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CCNK O75909 1/20 0.34

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
SCHEMBL18622324 0.77 MAP3K5 (0.44) RAB9ATP53KDM4EPRNPRXFP1
SCHEMBL29427872 0.75 MGAM (0.50) RAB9AKDM4EMGAMMAP3K5ALDH1A1
SCHEMBL5350724 0.75 MGAM (0.42) RAB9ATP53KDM4ECYP1A2CCKAR
SCHEMBL2337793 0.75 MGAM (0.50) RAB9AKDM4EMGAMMAP3K5ALDH1A1
SCHEMBL27288452 0.75 NPC1 (0.49) RAB9AGAAALDH1A1MAPTKMT2A
SCHEMBL29668334 0.74 IKBKB (0.47) RAB9ATP53KDM4ECYP1A2CCKAR
SCHEMBL31325746 0.74 MAP3K5 (0.46) TP53KDM4ECYP1A2MGAMMAP3K5
SCHEMBL16506805 0.74 RAB9A (0.41) RAB9ATP53KDM4ECYP1A2CCKAR
SCHEMBL2005662 0.74 MGAM (0.41) RAB9ATP53KDM4ECYP1A2CCKAR
SCHEMBL422040 0.74 IKBKB (0.47) RAB9ATP53KDM4ECYP1A2CCKAR

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-0004389-B1 4-AMINO-6,7-DIMETHOXY QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND A PHARMACEUTICAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-07 — — EP disclosed
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