SCHEMBL6583988

SCHEMBL6583988

C(=Cc1nc2ccccc2n1-c1ccccc1)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.55
FGFR1 P11362 1/20 0.49
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL6583981 1.00 MEN1 (0.58) MEN1KMT2APOLBFGFR1MAPK1
SCHEMBL6832639 0.85 MEN1 (0.49) MEN1KMT2APOLBFGFR1NPC1
SCHEMBL6832637 0.85 MEN1 (0.49) MEN1KMT2APOLBFGFR1NPC1
Hydrochloric Acid SCHEMBL6835840 0.84 MEN1 (0.48) MEN1KMT2APOLBFGFR1NPC1
Hydrochloric Acid SCHEMBL6835843 0.84 MEN1 (0.48) MEN1KMT2APOLBFGFR1NPC1
SCHEMBL1962638 0.82 MEN1 (0.84) MEN1KMT2APOLB
SCHEMBL1962640 0.82 MEN1 (0.84) MEN1KMT2APOLB
SCHEMBL6583386 0.81 KDM4E (0.64) MEN1KMT2APOLBMAPK1HTT
SCHEMBL6583378 0.81 KDM4E (0.64) MEN1KMT2APOLBMAPK1HTT
SCHEMBL8550750 0.81 KDM4E (0.64) MEN1KMT2APOLBMAPK1HTT

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
EP-0846689-B1 Benzimidazole compounds PFIZER (US) 2004-01-14 EP claimed
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP claimed
EP-0846689-B1 Benzimidazole compounds PFIZER (US) 2004-01-14 EP disclosed
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP disclosed