SCHEMBL14647346

SCHEMBL14647346

Bc1nc([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n2ccnc(N)c12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.51
TNK2 Q07912 5/20 0.49
JAK2 O60674 2/20 0.49
JAK1 P23458 2/20 0.49
TYK2 P29597 2/20 0.49
JAK3 P52333 2/20 0.49
TEC P42680 1/20 0.45
TXK P42681 1/20 0.45
BTK Q06187 1/20 0.45

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
SCHEMBL14647470 1.00 IGF1R (0.51) IGF1RTNK2JAK2JAK1TYK2
SCHEMBL15929297 0.90 IGF1R (0.51) IGF1RTNK2JAK2JAK1TYK2
SCHEMBL14654079 0.90 IGF1R (0.51) IGF1RTNK2JAK2JAK1TYK2
SCHEMBL28668403 0.90 IGF1R (0.51) IGF1RTNK2JAK2JAK1TYK2
SCHEMBL14647465 0.89 JAK2 (0.47) IGF1RTNK2JAK2JAK1TYK2
SCHEMBL30449939 0.86 IGF1R (0.49) IGF1RTNK2JAK2JAK1TYK2
SCHEMBL28724598 0.86 IGF1R (0.49) IGF1RTNK2JAK2JAK1
SCHEMBL26359424 0.86 IGF1R (0.49) IGF1RTNK2JAK2JAK1
SCHEMBL21050808 0.86 IGF1R (0.49) IGF1RTNK2JAK2JAK1
SCHEMBL21050896 0.81 IGF1R (0.50) IGF1RTNK2

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
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 EP disclosed