SCHEMBL29623800

SCHEMBL29623800

O=[N+]([O-])c1cnc(-n2cnc3ccccc32)nc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.62
ALDH1A1 P00352 6/20 0.59
HTT P42858 3/20 0.59
MKNK1 Q9BUB5 3/20 0.57
MKNK2 Q9HBH9 3/20 0.57
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
XBP1 P17861 1/20 0.45
MDM2 Q00987 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX5 P09917 1/20 0.44

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
SCHEMBL19350754 1.00 FGFR1 (0.62) FGFR1ALDH1A1HTTMKNK1MKNK2
SCHEMBL19459554 0.82 ALDH1A1 (0.60) FGFR1ALDH1A1HTTMKNK1MKNK2
SCHEMBL3834819 0.80 FGFR1 (0.72) FGFR1ALDH1A1HTTMAPT
SCHEMBL29449347 0.77 FGFR1 (1.00) FGFR1ALDH1A1HTTMAPTMITF
SCHEMBL2308773 0.77 FGFR1 (1.00) FGFR1ALDH1A1HTTMAPTMITF
SCHEMBL2899962 0.76 HTT (0.55) FGFR1HTTMKNK1MKNK2
SCHEMBL19350753 0.76 MKNK1 (0.59) FGFR1ALDH1A1HTTMKNK1MKNK2
SCHEMBL3300702 0.75 FGFR1 (0.70) FGFR1ALDH1A1HTTMKNK1MKNK2
SCHEMBL3296982 0.75 ALDH1A1 (0.70) FGFR1ALDH1A1HTTMKNK1MKNK2
SCHEMBL2465676 0.75 MKNK2 (0.67) FGFR1ALDH1A1HTTMKNK1MKNK2

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
EP-3424924-B1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) 2023-05-24 EP disclosed
CN-109071523-B Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2022-05-31 CN disclosed