SCHEMBL3347015

SCHEMBL3347015

CC(=O)Nc1cccc(CC#Cc2ccn3nccc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
OGA O60502 1/20 0.46
RET P07949 1/20 0.40
CBLB Q13191 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GRM5 P41594 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ENPP1 P22413 1/20 0.38
RAD52 P43351 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL3346995 0.84 GRM5 (0.56) MEN1TSHRKMT2AOGAALDH1A1
SCHEMBL3348360 0.80 GRM5 (0.44) MEN1TSHRKMT2AOGARET
SCHEMBL3346817 0.77 DYRK1A (0.41) OGARAB9ALMNASMN1; SMN2CYP11B1
SCHEMBL3348379 0.77 CYP11B1 (0.38) MEN1TSHRKMT2AOGARAB9A
SCHEMBL3345949 0.77 GRM5 (0.42) MEN1KMT2AALDH1A1KDM4EGRM5
SCHEMBL3345883 0.76 DYRK1A (0.37) OGAGRM5
SCHEMBL3346876 0.75 CYP19A1 (0.42) ALDH1A1CYP11B1CYP11B2
SCHEMBL3346985 0.70 GRM5 (0.42) OGAALDH1A1GRM5
SCHEMBL3348249 0.70 KDR (0.64) RAB9ALMNAKDM4EGRM5SMN1; SMN2
SCHEMBL11202832 0.69 NPSR1 (0.55) MEN1TSHRKMT2ARAB9ANPSR1

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
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed