SCHEMBL29626100

SCHEMBL29626100

Cc1c(Br)cc(C(=O)O)c(=O)n1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MYC P01106 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPK14 Q16539 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TYK2 P29597 1/20 0.39
SLC11A2 P49281 2/20 0.39
DPP4 P27487 1/20 0.39
ALKBH3 Q96Q83 1/20 0.39
NOTUM Q6P988 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
SORT1 Q99523 1/20 0.37

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
SCHEMBL19377806 1.00 POLB (0.45) POLBGAATSHRMYCSMN1; SMN2
SCHEMBL29626186 0.88 POLB (0.44) POLBGAATSHRSMN1; SMN2ALDH1A1
SCHEMBL28966273 0.84 NOTUM (0.44) POLBGAATSHRMYCSMN1; SMN2
SCHEMBL31051678 0.84 NPC1 (0.51) POLBGAATSHRSMN1; SMN2ALDH1A1
SCHEMBL19377928 0.84 NPC1 (0.51) POLBGAATSHRSMN1; SMN2ALDH1A1
SCHEMBL25220685 0.81 NOTUM (0.41) GAAMYCALDH1A1KDM4EMAPK14
SCHEMBL18836673 0.80 NOTUM (0.55) GAAMYCALDH1A1KMT2ANOTUM
SCHEMBL28966268 0.80 KMT2A (0.44) GAATSHRMYCALDH1A1KDM4E
SCHEMBL18836571 0.76 NOTUM (0.59) GAAMYCSMN1; SMN2ALDH1A1KDM4E
SCHEMBL19377711 0.75 ALOX12 (0.45) POLBMYCSMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456175-B Pyrrolotriazine compounds as TAM inhibitors 因赛特公司 2024-09-03 CN disclosed
CN-114456176-B Pyrrolotriazine compounds as TAM inhibitors 因赛特公司 2024-08-30 CN disclosed
EP-3436461-B1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS INCYTE CORP (US) 2023-11-01 EP disclosed
CN-114456175-A Pyrrolotriazine compounds as TAM inhibitors 因赛特公司 2022-05-10 CN disclosed
CN-114456176-A Pyrrolotriazine compounds as TAM inhibitors 因赛特公司 2022-05-10 CN disclosed