SCHEMBL9298552

SCHEMBL9298552

N#CNC(=Nc1ccc(C#N)cc1)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
JAK2 O60674 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
CSF1R P07333 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40
MET P08581 1/20 0.40
ROS1 P08922 1/20 0.40
PDGFRB P09619 1/20 0.40
FGR P09769 1/20 0.40
KIT P10721 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL9838250 0.86 P2RX7 (0.50) NOS3NOS1ADRB2ADRB1ADRB3
SCHEMBL11157133 0.83 NAMPT (0.49) NAMPTALDH1A1HTTCA9PLIN1
SCHEMBL10453432 0.83 MEN1 (0.44) MEN1KMT2AFLT1MCL1SLC1A3
SCHEMBL11157679 0.77 NAMPT (0.57) MEN1KMT2ANAMPTABCC9KCNJ11
SCHEMBL9530548 0.77 MEN1 (0.48) MEN1KMT2ANOS3NOS1JAK2
SCHEMBL9530547 0.77 MEN1 (0.48) MEN1KMT2ANOS3NOS1JAK2
SCHEMBL7978005 0.76 NAMPT (0.46) NAMPTALDH1A1LMNA
SCHEMBL7978003 0.76 NAMPT (0.46) NAMPTALDH1A1LMNA
SCHEMBL9297486 0.73 ABCC9 (0.46) KMT2ANOS3NOS1ABCC9KCNJ11
SCHEMBL9838248 0.70 NAMPT (0.57) NAMPTMAOAABCC9KCNJ11MAOB

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
US-5011837-A Aryl cyanoguanidines: potassium channel activators and method of making same E. R. SQUIBB & SONS, INC. (US) 1991-04-30 US claimed
EP-0354553-A2 Aryl cyanoguanidines: potassium channel activators and method of making same E.R. SQUIBB & SONS, INC. (US) 1990-02-14 EP claimed
US-5278169-A Method of treating or prevention of fibrillation of the heart E. R. SQUIBB & SONS, INC. (US) 1994-01-11 US disclosed
US-5011837-A Aryl cyanoguanidines: potassium channel activators and method of making same E. R. SQUIBB & SONS, INC. (US) 1991-04-30 US disclosed