SCHEMBL10885283

SCHEMBL10885283

CC(C)CC(=O)Nc1nc2ccc(Cl)cc2n2cnnc12

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.63
RXFP1 Q9HBX9 3/20 0.61
MAPT P10636 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL10847556 0.87 RXFP1 (0.51) TP53RXFP1MAPTSMN1; SMN2KMT2A
SCHEMBL10847842 0.81 RXFP1 (0.65) TP53RXFP1MAPTSMN1; SMN2KMT2A
SCHEMBL10848061 0.79
SCHEMBL10885287 0.73 TP53 (0.56) TP53RXFP1MAPTSMN1; SMN2KMT2A
SCHEMBL404420 0.73 MAPT (0.65) TP53RXFP1MAPTSMN1; SMN2KMT2A
SCHEMBL11099211 0.73 TP53 (0.61) TP53RXFP1MAPTSMN1; SMN2KMT2A
SCHEMBL10848030 0.71 TP53 (0.59) TP53RXFP1MAPTSMN1; SMN2KMT2A
SCHEMBL405269 0.71 HRH4 (0.60) TP53RXFP1MAPTSMN1; SMN2KMT2A
SCHEMBL10846907 0.71 TP53 (0.61) TP53RXFP1MAPTKMT2AMEN1
SCHEMBL12224096 0.69 MAPT (0.54) TP53RXFP1MAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107455-B1 TRIAZOLOQUINOXALINES AS ANTIDEPRESSANTS AND ANTIFATIGUE AGENTS PFIZER INC. (US) 1986-07-09 EP disclosed
US-4547501-A Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents PFIZER INC. (US) 1985-10-15 US disclosed
US-4495187-A Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents PFIZER INC. (US) 1985-01-22 US disclosed