SCHEMBL20145306

SCHEMBL20145306

CCCC(C(=O)NCc1ccccn1)C(C)CC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 4/20 0.51
GPR88 Q9GZN0 1/20 0.50
RAB9A P51151 4/20 0.49
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL18124635 0.90 SMN1; SMN2 (0.59) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL18124672 0.90 SMN1; SMN2 (0.59) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL18124654 0.90 SMN1; SMN2 (0.59) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL18125091 0.84 MAPT (0.69) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL18125081 0.84 MAPT (0.69) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL18125100 0.84 MAPT (0.69) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL18638555 0.83 POLB (0.56) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL18664499 0.83 POLB (0.56) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL18638511 0.83 POLB (0.56) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL11814069 0.82 SMN1; SMN2 (0.59) SMN1; SMN2POLBCYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3722297-A1 TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS Gilead Sciences, Inc. (US) 2020-10-14 EP disclosed
EP-3321265-A1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2018-05-16 EP disclosed