SCHEMBL14280497

SCHEMBL14280497

C#COC(=O)c1cc2cnc(SC)nc2n1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
PDE4B Q07343 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
HTR2A P28223 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
GRM5 P41594 1/20 0.31

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
SCHEMBL4855162 0.87 PIK3CD (0.40) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL14158805 0.84 MAPK1 (0.46) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL4852894 0.83 NOTUM (0.39) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4850875 0.82 MAPT (0.38) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4848229 0.79 MAPT (0.34) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4848223 0.78 RXFP1 (0.39) MAPTLMNAMAPK1HTTPDE4B
SCHEMBL14158831 0.76 MAPT (0.55) MAPTLMNARXFP1MEN1KMT2A
SCHEMBL4856292 0.75 MAPT (0.38) MAPTLMNASMN1; SMN2MAPK1RXFP1
SCHEMBL4855863 0.69 RXFP1 (0.36) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL4854091 0.69 ALDH1A1 (0.40) MAPTALDH1A1LMNAGAASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 US disclosed