SCHEMBL9500899

SCHEMBL9500899

Cc1ccnc(-c2cccc(Cc3ccccc3)n2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
FFAR1 O14842 1/20 0.37
GRM5 P41594 1/20 0.37
TGFBR1 P36897 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
KCNH2 Q12809 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
POLB P06746 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
SCHEMBL9550832 0.88 CCR1 (0.43) BRD4SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL9025837 0.87 GRM5 (0.43) SMN1; SMN2RAB9AFFAR1GRM5
SCHEMBL9027236 0.87 FFAR1 (0.40) BRD4NPC1RAB9AFFAR1GRM5
SCHEMBL9025927 0.83 GRM5 (0.38) FFAR1GRM5CCR1CCR8
SCHEMBL9026730 0.82 ROCK1 (0.43) RAB9AGRM5
SCHEMBL9026506 0.82 KCNH2 (0.39) BRD4SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL9024906 0.81 GRM5 (0.44) SMN1; SMN2NPC1ALDH1A1FFAR1GRM5
SCHEMBL10368628 0.79 GRM5 (0.39) ALDH1A1FFAR1GRM5TGFBR1CCR1
SCHEMBL9026091 0.79 FFAR1 (0.44) BRD4ALDH1A1FFAR1GRM5
SCHEMBL9027654 0.78 BRD4 (0.45) BRD4SMN1; SMN2NPC1ALDH1A1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5117264-A None JP disclosed
JP-H05117264-A PYRIDYLPYRIMIDINE COMPOUND, ITS PRODUCTION AND FUNGICIDAL COMPOSITION CONTAINING THE SAME IMPERIAL CHEM IND PLC <ICI> 1993-05-14 JP disclosed
US-5185339-A FUNGICIDAL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-09 US disclosed
EP-0459662-A1 Fungicidal compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed