SCHEMBL3721829

SCHEMBL3721829

CN(C)CCc1cccc(Nc2nccc(-c3c(-c4ccc(OCCc5ccccc5)cc4)nc4ccccn34)n2)c1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK19 Q9BWU1 3/20 0.86
ALK Q9UM73 2/20 0.86
IGF1R P08069 9/20 0.56
INSR P06213 1/20 0.55
EGFR P00533 3/20 0.54
ERBB2 P04626 3/20 0.54
PTK2 Q05397 1/20 0.54
CDK2 P24941 3/20 0.48
CDK4 P11802 2/20 0.48
CCNE1 P24864 2/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL3716630 0.93 CDK19 (0.87) CDK19ALKIGF1RINSREGFR
SCHEMBL3724787 0.90 CDK19 (0.81) CDK19ALKIGF1RINSREGFR
SCHEMBL3766684 0.89 CDK19 (0.82) CDK19ALKIGF1RINSREGFR
SCHEMBL3771405 0.89 CDK19 (0.80) CDK19ALKIGF1RINSREGFR
SCHEMBL3716738 0.88 CDK19 (0.81) CDK19ALKIGF1RINSREGFR
SCHEMBL3767668 0.88 CDK19 (0.81) CDK19ALKIGF1RINSREGFR
SCHEMBL3719823 0.88 CDK19 (0.80) CDK19ALKIGF1RINSREGFR
SCHEMBL3768992 0.87 CDK19 (0.79) CDK19ALKIGF1RINSREGFR
SCHEMBL3764976 0.85 CDK19 (0.76) CDK19ALKIGF1RINSREGFR
SCHEMBL3756611 0.84 CDK19 (0.73) CDK19ALKIGF1RINSREGFR

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-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO claimed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed