SCHEMBL7046498

SCHEMBL7046498

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CN(C(=O)CN2CCC(O)CC2)C1.OC1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.66
FLT3 P36888 2/20 0.61
KIT P10721 1/20 0.61
EGFR P00533 4/20 0.59
TEC P42680 3/20 0.59
BMX P51813 3/20 0.59
TXK P42681 2/20 0.59
LYN P07948 2/20 0.59
FGFR2 P21802 2/20 0.59
ITK Q08881 2/20 0.59
BLK P51451 2/20 0.59
RIPK2 O43353 1/20 0.59
NR1I2 O75469 1/20 0.59
SLC22A3 O75751 1/20 0.59
LATS1 O95835 1/20 0.59
NUDT14 O95848 1/20 0.59
ABL1 P00519 1/20 0.59
ERBB2 P04626 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59

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
SCHEMBL6460065 0.95 BTK (0.69) BTKFLT3KITEGFRTEC
SCHEMBL7138251 0.92 BTK (0.65) BTKFLT3KITEGFRTEC
[1,4']Bipiperidinyl SCHEMBL7139791 0.90 BTK (0.65) BTKFLT3KITEGFRTEC
SCHEMBL6430327 0.89 BTK (0.68) BTKFLT3KITEGFRTEC
Morpholine SCHEMBL7141268 0.88 BTK (0.65) BTKFLT3KITEGFRTEC
Methylpiperazine SCHEMBL7141852 0.88 BTK (0.66) BTKFLT3KITEGFRTEC
SCHEMBL6434556 0.87 BTK (0.68) BTKFLT3KITEGFRTEC
Hydrochloric Acid SCHEMBL29494176 0.86 BTK (0.68) BTKFLT3KITEGFRLYN
Hydrochloric Acid SCHEMBL28719796 0.86 BTK (0.68) BTKFLT3KITEGFRLYN
SCHEMBL6433637 0.86 BTK (0.68) BTKFLT3KITEGFRTEC

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
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed