SCHEMBL185171

SCHEMBL185171

CC(=O)Nc1nc2cccnc2s1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.60
ADORA1 P30542 1/20 0.60
POLB P06746 2/20 0.59
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PIK3CG P48736 2/20 0.49
PIK3CA P42336 1/20 0.49
MYC P01106 1/20 0.48
CLK1 P49759 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
FSCN1 Q16658 1/20 0.48
PDPK1 O15530 1/20 0.48

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
SCHEMBL24329695 0.81 RAB9A (0.60) POLBNPC1MEN1KMT2ARAB9A
SCHEMBL14549191 0.78 POLB (0.68) POLBNPC1MEN1KMT2ARAB9A
SCHEMBL26603055 0.77 POLB (0.48) POLBNPC1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL31194825 0.77 POLB (0.66) POLBNPC1MEN1KMT2ARAB9A
SCHEMBL12030352 0.76 MAPT (0.59) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL5740431 0.76 RAB9A (0.70) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12442963 0.76 DYRK1A (0.57) DYRK1AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL3283083 0.76 DYRK1A (1.00) DYRK1AADORA1NPC1MEN1KMT2A
SCHEMBL24329369 0.76 NPC1 (0.53) POLBNPC1MEN1KMT2ARAB9A
SCHEMBL1558460 0.75 DYRK1A (0.58) DYRK1AADORA1POLBNPC1MEN1

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
EP-2402327-A1 Acetamide compounds as glucokinase activators, their process and medicinal applications Advinus Therapeutics Private Limited (IN) 2012-01-04 EP claimed