SCHEMBL19441998

SCHEMBL19441998

C=CCNc1cccc(N(C(=O)Nc2ccccc2Cl)c2cc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.58
LCK P06239 2/20 0.54
FGFR1 P11362 2/20 0.50
CTSC P53634 3/20 0.49
FGFR3 P22607 4/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
EGFR P00533 5/20 0.48
JAK3 P52333 5/20 0.48
JAK2 O60674 2/20 0.48
FLT3 P36888 2/20 0.48
BLK P51451 2/20 0.48
ITK Q08881 2/20 0.48
JAK1 P23458 1/20 0.48
TTK P33981 1/20 0.48
TXK P42681 1/20 0.48
PLK4 O00444 1/20 0.47
GAK O14976 1/20 0.47
NUAK1 O60285 1/20 0.47

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
SCHEMBL17856985 0.92 BTK (0.68) BTKLCKFGFR1CTSCEGFR
SCHEMBL17837341 0.85 BTK (0.79) BTKFGFR1CTSCEGFRJAK3
SCHEMBL16371246 0.83 BTK (0.62) BTKLCKFGFR1CTSCFGFR3
SCHEMBL19227454 0.83 LCK (0.62) BTKLCKFGFR1FGFR3CYP3A4
SCHEMBL17857009 0.82 BTK (0.67) BTKFGFR1CTSCFGFR3EGFR
SCHEMBL16370525 0.81 BTK (0.58) BTKLCKFGFR1CTSCFGFR3
SCHEMBL30537280 0.81 BTK (0.59) BTKLCKFGFR1CTSCFGFR3
SCHEMBL17837342 0.81 BTK (0.81) BTKFGFR1CTSCEGFRJAK3
SCHEMBL17857033 0.80 BTK (0.66) BTKFGFR1CTSCEGFRJAK3
SCHEMBL17857037 0.80 BTK (0.65) BTKFGFR1CTSCEGFRJAK3

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