SCHEMBL3843814

SCHEMBL3843814

Brc1cccc(-c2cnc3ncc(C4CC4)n3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HCRTR1 O43613 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDE4D Q08499 2/20 0.39
IDO1 P14902 1/20 0.38
METAP2 P50579 1/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 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
SCHEMBL3825254 0.82 DYRK1A (0.36) SMN1; SMN2RAB9ANPC1FYNDYRK1A
SCHEMBL17027901 0.69 IDO1 (0.58) SMN1; SMN2RAB9ANPC1IDO1METAP2
SCHEMBL22290686 0.68 IDO1 (0.43) SMN1; SMN2RAB9ANPC1HCRTR1CASP3
SCHEMBL22053018 0.64 IDO1 (0.49) SMN1; SMN2RAB9ANPC1HCRTR1CASP3
SCHEMBL2658449 0.63 IDO1 (0.47) SMN1; SMN2RAB9ANPC1HCRTR1CASP3
SCHEMBL14834449 0.63 IDO1 (0.44) SMN1; SMN2RAB9ANPC1HCRTR1CASP3
SCHEMBL6106706 0.63 RAB9A (0.49) SMN1; SMN2RAB9ANPC1HCRTR1CASP3
SCHEMBL2404693 0.62 SLC6A2 (0.51) SMN1; SMN2RAB9AIDO1METAP2MAPT
SCHEMBL1925054 0.62 IDO1 (0.53) SMN1; SMN2RAB9ANPC1IDO1METAP2
SCHEMBL19903831 0.61 FYN (0.49) KDM4EIDO1FYNGAA

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-2099447-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-09-16 EP disclosed
WO-2008064157-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-05-29 WO disclosed