SCHEMBL3712502

SCHEMBL3712502

CCN(c1ccccc1)c1nc(Nc2cccc(NC(=O)N3CCC[C@H]3C)c2)ncc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SYK P43405 6/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BTK Q06187 2/20 0.39
ITK Q08881 1/20 0.39
JAK3 P52333 2/20 0.39
BRD4 O60885 1/20 0.39
CAMK1D Q8IU85 1/20 0.38
ULK1 O75385 1/20 0.38
PDK1 Q15118 1/20 0.38
ULK2 Q8IYT8 1/20 0.38
PTK2 Q05397 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38

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
SCHEMBL3722239 0.87 ULK1 (0.50) EGFRSMN1; SMN2BTKITKJAK3
SCHEMBL3714738 0.83 EGFR (0.53) EGFRSYKBTKITKJAK3
SCHEMBL913703 0.81 STAT6 (0.59) EGFRSYKJAK3
SCHEMBL914128 0.81 STAT6 (0.59) EGFRSYKJAK3
SCHEMBL913701 0.81 STAT6 (0.59) EGFRSYKJAK3
SCHEMBL3715974 0.80 JAK3 (0.55) EGFRSYKJAK3ULK1PDK1
SCHEMBL3712505 0.80 JAK3 (0.55) EGFRSYKJAK3ULK1PDK1
SCHEMBL912973 0.79 SYK (0.55) EGFRALDH1A1HPGDTSHRSYK
SCHEMBL912974 0.79 SYK (0.55) EGFRALDH1A1HPGDTSHRSYK
SCHEMBL912976 0.79 SYK (0.55) EGFRALDH1A1HPGDTSHRSYK

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-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO claimed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed