SCHEMBL3348360

SCHEMBL3348360

CC(=O)Nc1cccc(C#CCc2ccn3nccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.44
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
CBLB Q13191 1/20 0.39
KDR P35968 5/20 0.38
PDGFRB P09619 4/20 0.38
RET P07949 1/20 0.38
OGA O60502 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAD52 P43351 1/20 0.37
IKBKB O14920 1/20 0.37
RAB9A P51151 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.36
NR4A1 P22736 1/20 0.36
NPC1 O15118 1/20 0.36
CPT1A P50416 1/20 0.36

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 0.83 GRM5 (0.56) GRM5MEN1TSHRKMT2AKDR
SCHEMBL3347015 0.80 MEN1 (0.50) GRM5MEN1TSHRKMT2ACBLB
SCHEMBL3346207 0.78 GRM5 (0.36) GRM5MEN1TSHRKMT2AALDH1A1
SCHEMBL3346845 0.78 DYRK1A (0.40) RAB9A
SCHEMBL3346361 0.77 GRM5 (0.41) GRM5
SCHEMBL3346390 0.77 DYRK1A (0.36) GRM5TSHRKDM4ERAB9ANPC1
SCHEMBL3346840 0.71 GRM5 (0.36) GRM5SMN1; SMN2
SCHEMBL3348249 0.69 KDR (0.64) GRM5KDRPDGFRBKDM4ESMN1; SMN2
SCHEMBL3346526 0.69 GRM5 (0.37) GRM5
SCHEMBL21715154 0.68 GRM5 (0.58) GRM5MEN1KMT2AALDH1A1KDM4E

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