SCHEMBL12635501

SCHEMBL12635501

C=CC(=O)Nc1cccc(Cc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3ncccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.67
EGFR P00533 6/20 0.64
FLT3 P36888 2/20 0.64
BLK P51451 2/20 0.64
JAK2 O60674 1/20 0.64
JAK1 P23458 1/20 0.64
TTK P33981 1/20 0.64
TXK P42681 1/20 0.64
BTK Q06187 1/20 0.64
ITK Q08881 1/20 0.64

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
SCHEMBL12635502 0.90 JAK3 (0.66) JAK3EGFRFLT3BLKJAK2
SCHEMBL15130607 0.87 JAK3 (0.80) JAK3EGFRFLT3BLKJAK2
SCHEMBL12398388 0.85 EGFR (0.74) JAK3EGFRFLT3BLKJAK2
SCHEMBL12634350 0.85 JAK3 (0.68) JAK3EGFRFLT3BLKJAK2
SCHEMBL12634412 0.81 JAK3 (0.66) JAK3EGFRFLT3BLKJAK2
SCHEMBL18501688 0.81 JAK3 (0.80) JAK3EGFRFLT3BLKJAK2
SCHEMBL17209827 0.80 JAK3 (1.00) JAK3EGFRFLT3BLKJAK2
SCHEMBL17209829 0.80 JAK3 (1.00) JAK3EGFRFLT3BLKJAK2
SCHEMBL17209789 0.78 JAK3 (1.00) JAK3EGFRFLT3BLKJAK2
SCHEMBL30925312 0.78 JAK3 (1.00) JAK3EGFRFLT3BLKJAK2

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
WO-2011079231-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH GATEKEEPER PHARMACEUTICAL, INC. (US) 2011-06-30 WO disclosed