SCHEMBL23030509

SCHEMBL23030509

Sc1cnc2[nH]cc(Cl)c2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.39
ITK Q08881 15/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
JAK2 O60674 1/20 0.39
RPS6KA5 O75582 1/20 0.36
AXL P30530 1/20 0.34
CDK8 P49336 1/20 0.34
TNIK Q9UKE5 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL24005850 0.77 PRMT5 (0.42) BTKITKPRMT5WDR77JAK2
SCHEMBL91445 0.77 AXL (0.41) BTKITKPRMT5WDR77JAK2
Hydrochloric Acid SCHEMBL17442826 0.73 BTK (0.41) BTKITKPRMT5WDR77JAK2
SCHEMBL7443703 0.73 PRMT5 (0.48) BTKITKPRMT5WDR77JAK2
SCHEMBL31150914 0.73 BTK (0.40) BTKITKPRMT5WDR77JAK2
SCHEMBL19754798 0.73 BTK (0.38) BTKITKPRMT5WDR77JAK2
SCHEMBL18371565 0.73 BTK (0.42) BTKITKPRMT5WDR77JAK2
SCHEMBL25261133 0.73 BTK (0.40) BTKITKPRMT5WDR77JAK2
SCHEMBL17787159 0.73 BTK (0.40) BTKITKPRMT5WDR77JAK2
SCHEMBL29481417 0.73 PRMT5 (0.48) BTKITKPRMT5WDR77JAK2

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-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed