SCHEMBL7354876

SCHEMBL7354876

N#CNC(=NC1(c2ccccc2)CC=CC1)Nc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.51
ABCC9 O60706 8/20 0.50
KCNJ11 Q14654 8/20 0.50
ABCC8 Q09428 6/20 0.50
KCNJ8 Q15842 6/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
NAMPT P43490 3/20 0.48
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
IMPDH2 P12268 1/20 0.39
TBXA2R P21731 1/20 0.39

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
SCHEMBL7357922 0.89 P2RX7 (0.51) P2RX7ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7348979 0.77 ABCC9 (0.49) P2RX7ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7354870 0.75 P2RX7 (0.41) P2RX7ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7354869 0.75 P2RX7 (0.41) P2RX7ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7362660 0.73 P2RX7 (0.41) P2RX7ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7358026 0.71 P2RX7 (0.41) P2RX7ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7359977 0.71 P2RX7 (0.39) P2RX7ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7350535 0.71 NAMPT (0.62) P2RX7ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL8774811 0.71 ABCC9 (0.69) P2RX7ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7347334 0.71 P2RX7 (0.58) P2RX7ABCC9KCNJ11ABCC8KCNJ8

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-0655057-B1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS UPJOHN CO (US) 1997-09-17 EP disclosed
US-5567722-A DIURETICS THE UPJOHN COMPANY (US) 1996-10-22 US disclosed
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP disclosed
WO-1994004500-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO disclosed