SCHEMBL29623297

SCHEMBL29623297

O=c1c2cc(F)ccc2nc(Nc2ccc(CN3CCOCC3)cc2)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.55
TDO2 P48775 3/20 0.55
IDO2 Q6ZQW0 3/20 0.55
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR7 P34969 3/20 0.44
ACP1 P24666 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
DHFR P00374 1/20 0.44
JAK2 O60674 1/20 0.43
SYK P43405 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL23065082 1.00 IDO1 (0.55) IDO1TDO2IDO2KCNH2ALDH1A1
SCHEMBL23065101 0.92 MEN1 (0.48) IDO1TDO2IDO2KCNH2ALDH1A1
SCHEMBL29623188 0.91 MEN1 (0.52) IDO1TDO2IDO2KCNH2ALDH1A1
SCHEMBL23065098 0.91 MEN1 (0.52) IDO1TDO2IDO2KCNH2ALDH1A1
SCHEMBL24089977 0.90 KMT2A (0.47) IDO1TDO2IDO2ALDH1A1SMN1; SMN2
SCHEMBL29623222 0.90 KMT2A (0.47) IDO1TDO2IDO2ALDH1A1SMN1; SMN2
SCHEMBL24089967 0.86 TDO2 (0.41) IDO1TDO2IDO2HTR7JAK2
SCHEMBL24089899 0.86 HTR7 (0.41) IDO1TDO2IDO2ALDH1A1MEN1
SCHEMBL24089983 0.86 HTR7 (0.41) IDO1TDO2IDO2KCNH2HTR7
SCHEMBL23065077 0.85 HTR7 (0.42) IDO1TDO2IDO2SMN1; SMN2TP53

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
CN-114650986-A 2-aminoquinazolinone derivatives 住友制药株式会社 2022-06-21 CN claimed
CN-114650986-A 2-aminoquinazolinone derivatives 住友制药株式会社 2022-06-21 CN disclosed