SCHEMBL14018985

SCHEMBL14018985

O[C@@H]1COC2C1OC[C@H]2Oc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 12/20 0.38
PRKAB1 Q9Y478 12/20 0.38
PRKAA1 Q13131 9/20 0.38
PRKAA2 P54646 6/20 0.38
PRKAB2 O43741 3/20 0.38
PRKAG3 Q9UGI9 3/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
MAPK14 Q16539 5/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
EGFR P00533 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4833199 1.00 PRKAG1 (0.38) PRKAG1PRKAB1PRKAA1PRKAA2PRKAB2
SCHEMBL14018911 0.83 MAPK14 (0.35) MAPK14
SCHEMBL4841003 0.83 MAPK14 (0.35) MAPK14
SCHEMBL4842360 0.82 MAPK14 (0.46) MAPK14
SCHEMBL4837999 0.78 MAPK14 (0.43) MAPK14
SCHEMBL4841631 0.77 MAPK14 (0.39) MAPK14
SCHEMBL14018947 0.77 MAPK14 (0.41) MAPK14
SCHEMBL4841405 0.77 MAPK14 (0.41) MAPK14
SCHEMBL4836118 0.77 MAPK14 (0.36) MAPK14
SCHEMBL4832933 0.77 MAPK14 (0.39) MAPK14

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
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed