SCHEMBL19441964

SCHEMBL19441964

C=CC(O)Nc1cccc(N(C(=O)NCc2ccccc2)c2cc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncn2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.57
FGFR1 P11362 1/20 0.46
ALK Q9UM73 4/20 0.44
EGFR P00533 10/20 0.42
JAK3 P52333 2/20 0.42
CDK2 P24941 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
IGF1R P08069 1/20 0.41
GAK O14976 1/20 0.41
FES P07332 1/20 0.41
FER P16591 1/20 0.41
ERBB3 P21860 1/20 0.41
TEC P42680 1/20 0.41
CLK1 P49759 1/20 0.41
PTK2 Q05397 1/20 0.41
TNK1 Q13470 1/20 0.41
MAPK3 P27361 1/20 0.40

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
SCHEMBL21081534 0.94 BTK (0.65) BTKFGFR1EGFRJAK3
SCHEMBL17857049 0.90 BTK (0.70) BTKFGFR1ALKEGFRJAK3
SCHEMBL21081507 0.89 BTK (0.58) BTKFGFR1ALKEGFRJAK3
SCHEMBL21081536 0.88 BTK (0.57) BTKFGFR1EGFRJAK3
SCHEMBL19441963 0.88 BTK (0.57) BTKFGFR1EGFRJAK3
SCHEMBL19441912 0.85 BTK (0.53) BTKFGFR1ALKEGFRJAK3
SCHEMBL17837342 0.84 BTK (0.81) BTKFGFR1EGFRJAK3
SCHEMBL17857046 0.83 BTK (0.70) BTKFGFR1EGFRJAK3
SCHEMBL17857045 0.82 BTK (0.71) BTKFGFR1EGFRJAK3
SCHEMBL17857021 0.81 BTK (0.66) BTKEGFRJAK3

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-9783504-B2 Kinase inhibitors for the treatment of disease DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-10 US disclosed