SCHEMBL11237726

SCHEMBL11237726

CCCCCCCCCCCc1nc(Cl)nc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.50
DHFR P00374 1/20 0.43
KCNH2 Q12809 1/20 0.41
ACP1 P24666 1/20 0.40
NR1H3 Q13133 1/20 0.39
HSD11B1 P28845 1/20 0.39
GCGR P47871 2/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CRHBP P24387 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL28327919 0.89 GPR84 (0.57) GPR84DHFRKCNH2ACP1NR1H3
SCHEMBL28827848 0.87 GPR84 (0.58) GPR84DHFRKCNH2ACP1NR1H3
SCHEMBL24383547 0.84 HPGD (0.49) ACP1NR1H3ADORA3ADORA2ALMNA
SCHEMBL4251526 0.84 GPR84 (0.55) GPR84DHFRKCNH2ACP1NR1H3
SCHEMBL1959103 0.84 GPR84 (0.55) GPR84DHFRKCNH2ACP1NR1H3
SCHEMBL12732279 0.82 GPR84 (0.51) GPR84ACP1NR1H3HSD11B1ADORA3
SCHEMBL7523521 0.80 LMNA (0.44) ACP1NR1H3ADORA3ADORA2ALMNA
SCHEMBL3835581 0.80 GPR84 (0.51) GPR84DHFRKCNH2ACP1NR1H3
SCHEMBL11417577 0.78 KMT2A (0.44) GPR84KCNH2LMNAKMT2A
SCHEMBL11413687 0.78 KMT2A (0.44) GPR84KCNH2LMNAKMT2A

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-0051067-A1 TRIAZINE SYNTHESIS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1982-05-12 EP disclosed
WO-1981003020-A1 TRIAZINE SYNTHESIS COMMW SCIENT IND RES ORG (AU) 1981-10-29 WO disclosed