SCHEMBL14765174

SCHEMBL14765174

COc1cccc2c1NC(C)C(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 9/20 0.54
BRPF1 P55201 1/20 0.54
BRD4 O60885 5/20 0.45
GSK3B P49841 1/20 0.43
CHEK1 O14757 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
HTR2C P28335 2/20 0.40
HTR7 P34969 2/20 0.40
HTR5A P47898 2/20 0.40
PDPK1 O15530 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
SCHEMBL14765075 0.87 CREBBP (0.54) CREBBPBRPF1BRD4GSK3BCHEK1
SCHEMBL19657751 0.78 CREBBP (0.59) CREBBPBRPF1BRD4GSK3BKMT2A
SCHEMBL30858659 0.78 CREBBP (0.59) CREBBPBRPF1BRD4GSK3BKMT2A
SCHEMBL19657315 0.77 CREBBP (0.58) CREBBPBRPF1BRD4GSK3BTSHR
SCHEMBL31606394 0.77 CREBBP (0.58) CREBBPBRPF1BRD4GSK3BTSHR
SCHEMBL5732983 0.75 CREBBP (0.46) CREBBPBRPF1BRD4CHEK1KMT2A
SCHEMBL21024074 0.74 CREBBP (0.54) CREBBPBRPF1BRD4GSK3BALDH1A1
SCHEMBL22822416 0.74 CREBBP (0.54) CREBBPBRPF1BRD4GSK3BALDH1A1
SCHEMBL7174583 0.73 BRPF1 (0.52) CREBBPBRPF1BRD4GSK3BKMT2A
SCHEMBL1101924 0.71 CREBBP (1.00) CREBBPBRPF1BRD4GSK3BKMT2A

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-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed