SCHEMBL7048636

SCHEMBL7048636

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CN(C(=O)C(NCCCn2ccnc2)C(N)CCn2ccnc2)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.56
EGFR P00533 1/20 0.51
TEC P42680 1/20 0.51
TXK P42681 1/20 0.51
BMX P51813 1/20 0.51

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
SCHEMBL6433911 0.86 BTK (0.58) BTKEGFRTECTXKBMX
SCHEMBL7136337 0.85 BTK (0.60) BTKEGFR
SCHEMBL7048634 0.84 BTK (0.56) BTKEGFRTECTXKBMX
SCHEMBL6430448 0.82 BTK (0.64) BTKEGFRTECTXKBMX
SCHEMBL7133355 0.80 BTK (0.62) BTKEGFRTECTXKBMX
SCHEMBL7140714 0.79 BTK (0.60) BTKEGFR
SCHEMBL7144296 0.78 BTK (0.73) BTKEGFRTECTXKBMX
SCHEMBL5801655 0.75 BTK (0.71) BTKEGFRTECTXKBMX
SCHEMBL7046503 0.74 BTK (0.69) BTKEGFRTECTXKBMX
SCHEMBL7141273 0.74 BTK (0.67) BTKEGFRTECTXKBMX

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