SCHEMBL19635800

SCHEMBL19635800

Nc1ncnc2c1c(-c1ccc(Oc3ccc(F)cc3F)cc1)nn2[C@@H]1CCC2(CC2)N(C(=O)C#CCO)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.51
EGFR P00533 5/20 0.49
LCK P06239 1/20 0.47
ITK Q08881 1/20 0.47
BLK P51451 1/20 0.46
KIT P10721 1/20 0.45
FLT3 P36888 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
SCHEMBL19635805 1.00 BTK (0.51) BTKEGFRLCKITKBLK
SCHEMBL19635827 0.92 BTK (0.56) BTKEGFRLCKITKBLK
SCHEMBL19635791 0.92 BTK (0.56) BTKEGFRLCKITKBLK
SCHEMBL19635198 0.87 BTK (0.55) BTKEGFRLCKITKBLK
SCHEMBL19635664 0.86 EGFR (0.62) BTKEGFRLCKITKBLK
SCHEMBL19635665 0.86 EGFR (0.62) BTKEGFRLCKITKBLK
SCHEMBL19635662 0.83 BTK (0.54) BTKEGFRLCKITKBLK
SCHEMBL19635661 0.83 BTK (0.54) BTKEGFRLCKITKBLK
SCHEMBL19635191 0.83 BTK (0.54) BTKEGFRLCKBLK
SCHEMBL19635201 0.78 BTK (0.58) BTKEGFRLCKITKBLK

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-2017198049-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF 浙江予川医药科技有限公司 2017-11-23 WO disclosed