Dipyridyl

Dipyridyl

SCHEMBL7904091

Br.[Ni].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Dipyridyl. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.88
LMNA P02545 3/20 0.88
CCR1 P32246 3/20 0.88
CCR5 P51681 3/20 0.88
CCR8 P51685 3/20 0.88
CYP1A2 P05177 1/20 0.88
POLB P06746 1/20 0.88
METAP1 P53582 1/20 0.88
BLM P54132 1/20 0.88
HIF1A Q16665 1/20 0.88
DOHH Q9BU89 1/20 0.88
P4HTM Q9NXG6 1/20 0.88
NPC1 O15118 6/20 0.70
TP53 P04637 4/20 0.70
RAB9A P51151 4/20 0.70
ALOX15 P16050 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
HTT P42858 2/20 0.70
TDP1 Q9NUW8 2/20 0.70

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
Dipyridyl SCHEMBL286888 1.00 KDM4E (0.88) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL27038595 0.97 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3200307 0.97 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL287597 0.97 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL1369024 0.97 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL27623647 0.97 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL7900008 0.97 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL1535115 0.97 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL809361 0.94 KDM4E (0.88) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL2207183 0.94 KDM4E (0.88) KDM4ELMNACCR1CCR5CCR8

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
US-6197923-B1 N-OXIDATED POLYPYRIDINES, POLYPYRIMIDINES, POLYPYRAZINES, POLYPYRIDAZINES, POLYQUINOLINES, POLYQUINOXALINES, POLYQUINAZOLINES, AND POLYNAPHTHRYDINES; SEMICONDUCTORS; HEAT RESISTANCE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-06 US disclosed