SCHEMBL20172440

SCHEMBL20172440

O=C(Nc1cccnc1)c1[nH]nc(C2CC2)c1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP11B2 P19099 6/20 0.49
CYP11B1 P15538 5/20 0.49
LMNA P02545 3/20 0.49
DYRK1A Q13627 4/20 0.48
CLK2 P49760 2/20 0.48
CLK3 P49761 2/20 0.48
NAMPT P43490 4/20 0.48
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.45
WNT1 P04628 2/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL20172442 0.86 NAMPT (0.51) MEN1KMT2ACYP11B2CYP11B1LMNA
SCHEMBL20172513 0.77 MEN1 (0.54) MEN1KMT2ACYP11B2CYP11B1LMNA
SCHEMBL20172431 0.74 RAB9A (0.52) MEN1KMT2ACYP11B2CYP11B1LMNA
SCHEMBL17224950 0.71
SCHEMBL1003875 0.71 ALDH1A1 (0.51) MEN1KMT2ACYP11B2CYP11B1LMNA
SCHEMBL30456292 0.68 LMNA (0.62) CYP11B2CYP11B1LMNANAMPTHIF1A
SCHEMBL20172497 0.68 TRPV1 (0.53) CYP11B2CYP11B1LMNADYRK1ACLK2
SCHEMBL20172511 0.68 TRPV1 (0.53) CYP11B2CYP11B1LMNADYRK1ACLK2
SCHEMBL1003175 0.68 SORT1 (0.50) MEN1KMT2ACYP11B2CYP11B1LMNA
SCHEMBL19064374 0.67 HSD17B10 (0.64) MEN1KMT2AHSD17B10POLBKDM4E

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-3137459-B1 MORPHOLIN-PYRIDINE DERIVATIVES HAVING AFFINITY TO THE TAAR1 RECEPTOR HOFFMANN LA ROCHE (CH) 2018-05-23 EP disclosed