SCHEMBL9468321

SCHEMBL9468321

CC(=O)Nc1cccc(C2=CCNc3c(C#N)cnn32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 8/20 0.46
TTK P33981 2/20 0.44
MAPK8 P45983 1/20 0.44
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CHEK1 O14757 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
USP30 Q70CQ3 1/20 0.40
MAPT P10636 2/20 0.39
GSK3B P49841 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
TP53 P04637 2/20 0.39
USP2 O75604 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
SCHEMBL9468466 0.76 KDM4E (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5275982 0.70 KDM4E (0.63) CSNK2A1CSNK2A2CSNK2BALDH1A1SMN1; SMN2
SCHEMBL12795376 0.70 KMT2A (0.62) CSNK2A1CSNK2A2CSNK2BALDH1A1MEN1
SCHEMBL5821782 0.69 CSNK2A1 (0.52) CSNK2A1CSNK2A2CSNK2B
SCHEMBL14255685 0.69 CSNK2A1 (0.52) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL28640327 0.69 CSNK2A1 (0.47) CSNK2A1TTKMAPK8CSNK2A2CSNK2B
SCHEMBL16092433 0.66 CSNK2A1 (0.44) CSNK2A1TTKMAPK8CSNK2A2CSNK2B
SCHEMBL11110995 0.65 ALDH1A1 (0.58) TTKMAPK8CHEK1ALDH1A1MEN1
SCHEMBL11222723 0.62 CNR1 (0.64) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6672410 0.62 NPC1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR

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-5219857-A Method of treating cognitive and related neural behavioral problems AMERICAN CYANAMID COMPANY (US) 1993-06-15 US disclosed
US-5126340-A Antidepressants AMERICAN CYANAMID COMPANY (US) 1992-06-30 US disclosed
US-4963553-A TREATING COGNITIVE AND NEURAL BEHAVIORAL PROBLEMS IN MAMMALS AMERICAN CYANAMID CO. (US) 1990-10-16 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed