SCHEMBL19429656

SCHEMBL19429656

CC1=C(c2ccc(-c3ccccn3)n(-c3ccccc3)c2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
BRD4 O60885 1/20 0.37
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MITF O75030 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
PARP1 P09874 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA3 P42263 1/20 0.34
PDE4D Q08499 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19429657 0.78 NPC1 (0.41) SMN1; SMN2ATMBRD4ALDH1A1KMT2A
SCHEMBL19429624 0.73 KDM4E (0.43) SMN1; SMN2ATMBRD4ALDH1A1PDE4D
SCHEMBL29626163 0.70 KDM4E (0.42) SMN1; SMN2ATMALDH1A1EGLN1L3MBTL1
SCHEMBL19377597 0.70 KDM4E (0.42) SMN1; SMN2ATMALDH1A1EGLN1L3MBTL1
SCHEMBL23370712 0.69 FEN1 (0.39) SMN1; SMN2ATMBRD4ALDH1A1NPC1
SCHEMBL19377934 0.69 GRIA1 (0.50) SMN1; SMN2ATMALDH1A1KMT2ATSHR
SCHEMBL29626177 0.69 GRIA1 (0.50) SMN1; SMN2ATMALDH1A1KMT2ATSHR
SCHEMBL19429626 0.69 FEN1 (0.39) SMN1; SMN2ATMBRD4ALDH1A1NPC1
SCHEMBL28681776 0.69 ALDH1A1 (0.43) SMN1; SMN2ATMALDH1A1NPC1TP53
SCHEMBL19403731 0.69 KDM4E (0.40) SMN1; SMN2ATMBRD4ALDH1A1MEN1

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-2017172596-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS INCYTE CORPORATION (US) 2017-10-05 WO disclosed