SCHEMBL6176285

SCHEMBL6176285

O=CCc1ccccc1Nc1nc(Cl)ncc1Br

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK8 P45983 3/20 0.39
CDK19 Q9BWU1 1/20 0.38
ALK Q9UM73 1/20 0.38
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
NTRK1 P04629 1/20 0.36
PIN1 Q13526 2/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
LRRK2 Q5S007 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL2916138 0.87 ALK (0.39) MAPK8ALKMAPK9MAPK10PIN1
SCHEMBL25056307 0.85 MEN1 (0.52) IGF1RMEN1KMT2AMAPK8CDK19
SCHEMBL17544600 0.83 IGF1R (0.51) IGF1RMEN1KMT2AMAPK8CDK19
SCHEMBL30088390 0.83 IGF1R (0.51) IGF1RMEN1KMT2AMAPK8CDK19
SCHEMBL6178375 0.81 PIN1 (0.60) IGF1RPIN1
SCHEMBL30833628 0.80 IGF1R (0.46) IGF1RMEN1KMT2AMAPK8CDK19
SCHEMBL30833796 0.80 IGF1R (0.46) IGF1RMEN1KMT2AMAPK8CDK19
SCHEMBL17544687 0.75 IGF1R (0.55) IGF1RMEN1KMT2AMAPK8CDK19
SCHEMBL24260666 0.75 IGF1R (0.55) IGF1RMEN1KMT2AMAPK8CDK19
SCHEMBL30833802 0.75 IGF1R (0.55) IGF1RMEN1KMT2AMAPK8CDK19

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
EP-1597251-A2 PYRIMIDINE COMPOUNDS SmithKline Beecham Corporation (US) 2005-11-23 EP disclosed
WO-2004074244-A2 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO disclosed