SCHEMBL22288307

SCHEMBL22288307

OCCn1cc(Nc2ncc(I)cn2)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.52
FGFR2 P21802 1/20 0.52
FGFR4 P22455 1/20 0.52
FGFR3 P22607 1/20 0.52
JAK2 O60674 15/20 0.46
JAK3 P52333 14/20 0.46
JAK1 P23458 13/20 0.46
TYK2 P29597 7/20 0.44
KDR P35968 1/20 0.42
AURKB Q96GD4 1/20 0.42
FLT4 P35916 1/20 0.41

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
SCHEMBL28434368 0.91 FGFR1 (0.45) FGFR1FGFR2FGFR4FGFR3JAK2
SCHEMBL22288295 0.85 JAK3 (0.46) FGFR1FGFR2FGFR4FGFR3JAK2
SCHEMBL29856213 0.85 FGFR3 (0.41) FGFR1FGFR2FGFR4FGFR3JAK2
SCHEMBL29566182 0.85 JAK2 (0.54) FGFR1FGFR2FGFR4FGFR3JAK2
SCHEMBL29960398 0.84 FGFR1 (0.51) FGFR1FGFR2FGFR4FGFR3JAK2
SCHEMBL22288276 0.82 FGFR1 (0.40) FGFR1FGFR2FGFR4FGFR3JAK2
SCHEMBL29856266 0.82 JAK2 (0.43) FGFR1FGFR2FGFR4FGFR3JAK2
SCHEMBL22300590 0.82 FGFR3 (0.40) FGFR1FGFR2FGFR4FGFR3JAK2
SCHEMBL22300160 0.81 JAK3 (0.47) JAK2JAK3JAK1TYK2
SCHEMBL22300586 0.81 JAK2 (0.54) FGFR1FGFR2FGFR4FGFR3JAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484482-B Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-06-21 CN disclosed
WO-2020156283-A1 ALKYNYLPYRIMIDINE OR ALKYNYLPYRIDINE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2020-08-06 WO disclosed
CN-111484482-A Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof 北京赛特明强医药科技有限公司 2020-08-04 CN disclosed