Indene

Indene

SCHEMBL19019767

C1=Cc2ccccc2C1.N#CCCn1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.49
HDAC6 Q9UBN7 8/20 0.49
HDAC1 Q13547 5/20 0.48
JAK1 P23458 11/20 0.47
JAK3 P52333 8/20 0.47
TYK2 P29597 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
RET P07949 3/20 0.46
ROCK1 Q13464 3/20 0.46
DAPK3 O43293 2/20 0.46
PAK4 O96013 2/20 0.46
ABL1 P00519 2/20 0.46
LTK P29376 2/20 0.46

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
SCHEMBL101593 0.86 JAK2 (0.62) JAK2HDAC6HDAC1JAK1JAK3
Phosphoric Acid SCHEMBL28297504 0.80 JAK2 (0.61) JAK2HDAC6HDAC1JAK1JAK3
Trifluoroacetic Acid SCHEMBL860379 0.77 JAK2 (0.60) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL13695723 0.72 JAK2 (0.65) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL20908684 0.70 JAK2 (0.69) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL13678278 0.70 JAK2 (0.53) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL28049773 0.70 JAK2 (0.53) JAK2HDAC6JAK1JAK3TYK2
SCHEMBL27210103 0.70 JAK2 (0.58) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL17907476 0.70 JAK2 (0.54) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL13774665 0.70 JAK2 (0.61) JAK2HDAC6HDAC1JAK1JAK3

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
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed