SCHEMBL2858246

SCHEMBL2858246

Cc1ccc(C(=O)O)cc1Nc1nc2ccc(F)cc2c2c1=CC(=O)[N]C=2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
CSNK2A1 P68400 15/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 1/20 0.41
PTGFR P43088 1/20 0.38
CSNK2A2 P19784 2/20 0.37
CSNK2B P67870 2/20 0.37

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
SCHEMBL2859344 0.92 MAPT (0.43) MAPTCSNK2A1SMN1; SMN2
SCHEMBL2870379 0.83 LYN (0.34)
SCHEMBL2868877 0.76 MAPT (0.43) MAPTCSNK2A1SMN1; SMN2AKR1C3PTGFR
SCHEMBL2863267 0.75 JAK2 (0.37) CSNK2A1
SCHEMBL2872707 0.75 JAK2 (0.56) MAPTCSNK2A1SMN1; SMN2AKR1C3
SCHEMBL24011039 0.71 RET (0.54) AKR1C3PTGFR
SCHEMBL2862718 0.69 JAK2 (0.55) MAPT
SCHEMBL3502465 0.67 JAK2 (0.53) MAPTSMN1; SMN2
SCHEMBL27915328 0.67 KDM4E (0.52) MAPTCSNK2A1SMN1; SMN2AKR1C3
SCHEMBL2929642 0.66 TDP1 (0.53) MAPTSMN1; SMN2AKR1C3

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-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO disclosed