SCHEMBL7364096

SCHEMBL7364096

Cc1cc(-c2ccncc2)n2ncc(C(=O)c3ccccc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GLA P06280 1/20 0.49
STAT1 P42224 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
MAP2K1 Q02750 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42

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
SCHEMBL7362761 0.93 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7364602 0.90 MAPT (0.52) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7362060 0.82 KDM4E (0.45) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7364155 0.81 KDM4E (0.53) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5790981 0.81 CLK4 (0.64) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19436672 0.75 KDM4E (0.57) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL19436625 0.74 STAT1 (0.65) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7362738 0.74 CLK4 (0.73) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL19455698 0.73 ALDH1A1 (0.44) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL19455729 0.73 ALDH1A1 (0.44) MAPTKDM4EALDH1A1HPGDMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US disclosed
EP-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP disclosed