SCHEMBL17626883

SCHEMBL17626883

Cc1ccc(-c2ccn3ccnc3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.62
ALDH1A1 P00352 11/20 0.62
KDM4E B2RXH2 10/20 0.62
NPC1 O15118 10/20 0.62
GAA P10253 8/20 0.62
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
SMN1; SMN2 Q16637 8/20 0.45
TP53 P04637 3/20 0.45
GLA P06280 4/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 7/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPT P10636 4/20 0.43
MITF O75030 2/20 0.42
KDM5A P29375 1/20 0.42
KDM5C P41229 1/20 0.42
PAX8 Q06710 1/20 0.42
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL2904195 0.83 ALDH1A1 (0.46) RAB9AALDH1A1KDM4ENPC1GAA
SCHEMBL3671369 0.82 ALDH1A1 (0.62) RAB9AALDH1A1KDM4ENPC1GAA
SCHEMBL9560121 0.82 DYRK1A (0.50) RAB9AALDH1A1KDM4ENPC1GAA
SCHEMBL17626904 0.81 KMO (0.47) RAB9AALDH1A1KDM4ENPC1GAA
SCHEMBL17626882 0.77 ALDH1A1 (1.00) RAB9AALDH1A1KDM4ENPC1GAA
SCHEMBL17626896 0.76 JAK2 (0.40) RAB9AALDH1A1KDM4ENPC1GAA
SCHEMBL26146239 0.74 MKNK1 (0.43) MAPT
SCHEMBL6102107 0.74 ALDH1A1 (0.39) RAB9AALDH1A1KDM4ENPC1GAA
SCHEMBL6221104 0.71 ACHE (0.38) RAB9AALDH1A1KDM4ENPC1GAA
SCHEMBL1829674 0.71 KMO (0.47) RAB9AALDH1A1KDM4ENPC1GAA

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-2999701-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS Hoffmann-La Roche Inc. (US) 2016-03-30 EP disclosed