SCHEMBL6940848

SCHEMBL6940848

CSc1ncc(CCCO)c(NC2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
GABBR2 O75899 2/20 0.43
GABBR1 Q9UBS5 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MERTK Q12866 1/20 0.42
CDK2 P24941 2/20 0.40
CDK1 P06493 1/20 0.40
SELP P16109 1/20 0.38
TYRO3 Q06418 1/20 0.38
ADORA1 P30542 1/20 0.37
SLC29A1 Q99808 3/20 0.36
HTT P42858 1/20 0.35
PPARG P37231 1/20 0.35
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
CCNA2 P20248 1/20 0.33

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
SCHEMBL6944320 0.92 KMT2A (0.45) KMT2AGABBR2GABBR1MEN1CYP1A2
SCHEMBL2622288 0.87 GABBR2 (0.47) KMT2AGABBR2GABBR1MEN1CYP1A2
SCHEMBL4713140 0.86 GABBR2 (0.46) KMT2AGABBR2GABBR1MEN1CYP1A2
SCHEMBL4711841 0.86 GABBR2 (0.46) KMT2AGABBR2GABBR1MEN1CYP1A2
SCHEMBL22860693 0.84 MERTK (0.46) KMT2AGABBR2GABBR1MEN1CYP1A2
SCHEMBL22184593 0.83 KMT2A (0.51) KMT2AGABBR2GABBR1MEN1CYP1A2
SCHEMBL17974123 0.82 MERTK (0.44) KMT2AGABBR2GABBR1MEN1CYP1A2
SCHEMBL24496115 0.82 KMT2A (0.47) KMT2AGABBR2GABBR1MEN1CYP1A2
SCHEMBL22184570 0.82 KMT2A (0.47) KMT2AGABBR2GABBR1MEN1CYP1A2
SCHEMBL3973217 0.82 KMT2A (0.47) KMT2AGABBR2GABBR1MEN1CYP1A2

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-1268476-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-01-02 EP disclosed
WO-2001070741-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-27 WO disclosed