SCHEMBL17675259

SCHEMBL17675259

C=CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OCCN1CCN(C)CC1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.73
EGFR P00533 15/20 0.73
ERBB4 Q15303 4/20 0.68
TEC P42680 3/20 0.68
TXK P42681 3/20 0.68
BLK P51451 3/20 0.68
BMX P51813 3/20 0.68
ERBB2 P04626 2/20 0.58
JAK3 P52333 2/20 0.58
ITK Q08881 1/20 0.58

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
SCHEMBL17675526 0.96 BTK (0.79) BTKEGFRERBB4TECTXK
SCHEMBL17675611 0.94 BTK (0.68) BTKEGFRERBB4TECTXK
SCHEMBL17675359 0.94 BTK (0.67) BTKEGFRERBB4TECTXK
SCHEMBL17683766 0.92 BTK (0.78) BTKEGFRERBB4TECTXK
SCHEMBL17675231 0.91 BTK (0.70) BTKEGFRERBB4TECTXK
SCHEMBL17675226 0.88 BTK (0.93) BTKEGFRERBB4TECTXK
SCHEMBL17683791 0.88 BTK (0.83) BTKEGFRERBB4TECTXK
SCHEMBL17675376 0.87 BTK (0.69) BTKEGFRERBB4TECTXK
SCHEMBL17675246 0.86 BTK (0.68) BTKEGFRERBB4TECTXK
SCHEMBL17675232 0.86 BTK (0.64) BTKEGFRERBB4TECTXK

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-2016055982-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS ACERTA PHARMA B.V. (NL) 2016-04-14 WO claimed
WO-2016055982-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS ACERTA PHARMA B.V. (NL) 2016-04-14 WO disclosed