SCHEMBL2868877

SCHEMBL2868877

Cc1ccc(C(=O)O)cc1Nc1nc2ccc(F)cc2c2c1C=C[N]C2=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 1/20 0.40
CSNK2A1 P68400 8/20 0.40
PTGFR P43088 1/20 0.38
CASP3 P42574 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK3 P27361 2/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL2858246 0.76 MAPT (0.43) MAPTSMN1; SMN2AKR1C3CSNK2A1PTGFR
SCHEMBL2872707 0.74 JAK2 (0.56) MAPTSMN1; SMN2AKR1C3CSNK2A1
SCHEMBL24011039 0.71 RET (0.54) AKR1C3PTGFRMAPK14
SCHEMBL2862718 0.68 JAK2 (0.55) MAPTMAPK3
SCHEMBL2859344 0.68 MAPT (0.43) MAPTSMN1; SMN2CSNK2A1KDM4ETDP1
SCHEMBL3502465 0.67 JAK2 (0.53) MAPTSMN1; SMN2KDM4E
SCHEMBL27915328 0.66 KDM4E (0.52) MAPTSMN1; SMN2AKR1C3CSNK2A1KDM4E
SCHEMBL2929642 0.66 TDP1 (0.53) MAPTSMN1; SMN2AKR1C3KDM4ETDP1
SCHEMBL3502703 0.65 CSNK2A1 (0.42) MAPTSMN1; SMN2CSNK2A1KDM4ETDP1
SCHEMBL22169872 0.63 CAMKK2 (0.64)

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 claimed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO claimed