SCHEMBL18291473

SCHEMBL18291473

CC(C)(C)OC(=O)N1CCN(Cc2ccc(N)nn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
TBK1 Q9UHD2 1/20 0.44
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
MAP4K4 O95819 1/20 0.42
KDM1A O60341 3/20 0.41
TERT O14746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL24765850 0.85 VEGFA (0.48) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL25231850 0.84 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL29132115 0.83 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL29132216 0.82 NR1H2 (0.45) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL465791 0.81 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3TBK1
SCHEMBL29132142 0.80 FNTA (0.49) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL18291489 0.80 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3TBK1
SCHEMBL1997213 0.79 MEN1 (0.49) CHRM2CHRM4CHRM1CHRM3TBK1
SCHEMBL30584532 0.79 MEN1 (0.49) CHRM2CHRM4CHRM1CHRM3TBK1
SCHEMBL20483969 0.78 VEGFA (0.47) CHRM2CHRM4CHRM1CHRM3TBK1

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
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO disclosed