Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4946565

COc1cc(N)cc(OC)c1OC.N

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
MAPT P10636 3/20 0.54
CYP3A4 P08684 1/20 0.54
CA9 Q16790 1/20 0.54
CYP19A1 P11511 3/20 0.53
NQO2 P16083 1/20 0.53
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
PTGS2 P35354 1/20 0.50
PTAFR P25105 2/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46

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
SCHEMBL191996 0.97 ACHE (0.59) ACHEMAPTCYP3A4CA9CYP19A1
Hydrochloric Acid SCHEMBL4381078 0.95 ACHE (0.56) ACHEMAPTCYP3A4CA9CYP19A1
SCHEMBL909800 0.86 ACHE (0.48) ACHEMAPTCYP3A4CA9CYP19A1
Alcohol SCHEMBL9525249 0.86 PTGS2 (0.54) ACHEMAPTCYP3A4CA9CYP19A1
SCHEMBL21264353 0.85 MAPT (0.47) ACHEMAPTCYP3A4CA9CYP19A1
SCHEMBL2529901 0.85 ACHE (0.46) ACHEMAPTCYP3A4CA9CYP19A1
Hydrochloric Acid SCHEMBL8521226 0.83 MAPT (0.46) ACHEMAPTCYP3A4CA9CYP19A1
SCHEMBL12903992 0.83 ACHE (0.44) ACHEMAPTCYP3A4CA9CYP19A1
SCHEMBL6977792 0.83 ACHE (0.50) ACHEMAPTCYP3A4CA9CYP19A1
SCHEMBL191032 0.81 TPMT (0.53) ACHEMAPTCYP3A4CA9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218360-B1 TRIAZINE KINASE INHIBITORS AMGEN INC (US) 2008-05-28 EP disclosed
US-7074789-B2 Kinase inhibitors AMGEN INC. (US) 2006-07-11 US disclosed
US-20040116388-A1 triazine compoound inhibitors of enzymes that catalyze phosphoryl transfer and/or that bind ATP/GTP nucleotides AMGEN INC. 2004-06-17 US disclosed
EP-1218360-A1 TRIAZINE KINASE INHIBITORS Amgen Inc., (US) 2002-07-03 EP disclosed
WO-2001025220-A1 TRIAZINE KINASE INHIBITORS AMGEN INC. (US) 2001-04-12 WO disclosed