SCHEMBL16255590

SCHEMBL16255590

CC1(C)C(=O)Nc2cccc(CNc3nc(Nc4ccc(C5CCN(C(C)(C)O)CC5)c5c4OCO5)ncc3Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.36
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ TTK P33981 3/20 0.36
▸ EGFR P00533 2/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ TXK P42681 1/20 0.36
▸ BLK P51451 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ LRRK2 Q5S007 4/20 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
SCHEMBL10206650 0.92 LRRK2 (0.36) JAK3JAK2JAK1TTKEGFR
SCHEMBL10205075 0.88 STK17A (0.40) JAK3JAK2JAK1EGFRFLT3
SCHEMBL10207052 0.88 JAK3 (0.35) JAK3JAK2JAK1TTKEGFR
SCHEMBL10205875 0.84 LRRK2 (0.39) JAK3JAK2EGFRLRRK2
SCHEMBL10206623 0.82 JAK3 (0.37) JAK3JAK2JAK1TTKEGFR
SCHEMBL10205539 0.81 ALK (0.42) EGFRLRRK2
SCHEMBL10205081 0.80 FLT3 (0.42) JAK3JAK2EGFRFLT3LRRK2
SCHEMBL10206652 0.80 LRRK2 (0.38) JAK3JAK2EGFRLRRK2
SCHEMBL10206638 0.79 ALK (0.42) JAK3FLT3
SCHEMBL10205191 0.79 EGFR (0.41) JAK3JAK2JAK1TTKEGFR

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-2655358-B1 OXINDOLOPYRIMIDINE AS IGF1R RECEPTOR INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 — — EP disclosed
Send feedback