SCHEMBL9877072

SCHEMBL9877072

CN(C)CCOc1ccc(-c2nn(-c3cccc(OCCN(C)C)c3)c3ncccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
TNK2 Q07912 2/20 0.42
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
TNKS O95271 2/20 0.41
LTA4H P09960 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
ITGA4 P13612 1/20 0.40
NAPEPLD Q6IQ20 1/20 0.40
BTK Q06187 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HCRTR1 O43613 1/20 0.39
PTPN1 P18031 1/20 0.39
PSMB5 P28074 1/20 0.38

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
SCHEMBL9876909 0.95 LSS (0.44) GSK3BFGFR1SRCCYP1A2CYP2D6
SCHEMBL9234476 0.94 TNK2 (0.44) GSK3BTNK2CHRNB2CHRNA4FGFR1
SCHEMBL9876897 0.93 KDM4E (0.42) GSK3BTNK2CHRNB2CHRNA4FGFR1
Fumaric Acid SCHEMBL9233745 0.92 BTK (0.42) GSK3BTNK2CHRNB2CHRNA4FGFR1
Fumaric Acid SCHEMBL9233740 0.92 BTK (0.42) GSK3BTNK2CHRNB2CHRNA4FGFR1
SCHEMBL9876810 0.91 TNK2 (0.46) TNK2CHRNB2CHRNA4FGFR1SRC
SCHEMBL10591505 0.89 TNK2 (0.39) GSK3BTNK2CHRNB2CHRNA4FGFR1
SCHEMBL9231684 0.88 ALOX5 (0.42) FGFR1SRCCYP2D6CYP2C9
SCHEMBL9876856 0.88 KDM4E (0.43) FGFR1SRCCYP2D6CYP2C9
SCHEMBL9235049 0.88 LSS (0.42) TNK2FGFR1SRCCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US claimed
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP disclosed