SCHEMBL44054

SCHEMBL44054

Cc1cn2cc(-c3cccc(CNC(=O)NCc4ccc(F)cc4)c3)nc2s1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 9/20 0.49
TP53 P04637 7/20 0.49
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.45
CHRM4 P08173 1/20 0.43
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL44862 0.83 GAA (0.47) MAPTLMNASMN1; SMN2TP53KDM4E
SCHEMBL39342 0.82 CYP19A1 (0.53) MAPTLMNASMN1; SMN2TP53KDM4E
SCHEMBL45277 0.82 TP53 (0.49) MAPTLMNATP53KDM4EKMT2A
SCHEMBL44674 0.81 MAPT (0.52) MAPTSMN1; SMN2TP53
SCHEMBL44856 0.81 F3 (0.51) MAPTLMNASMN1; SMN2TP53
SCHEMBL44483 0.81 RAB9A (0.52) MAPTSMN1; SMN2TP53KDM4ETDP1
SCHEMBL38543 0.81 WDR5 (0.45) MAPT
SCHEMBL44495 0.81 WDR5 (0.55) MAPTSMN1; SMN2KDM4ERXFP1KMT2A
SCHEMBL45795 0.79 CHRM3 (0.49) MAPTLMNASMN1; SMN2TP53KDM4E
SCHEMBL13844857 0.78 WDR5 (0.51) TP53

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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed