SCHEMBL10079358

SCHEMBL10079358

C[C@@H]1CCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 1.00
LCK P06239 1/20 0.84
AKT2 P31751 2/20 0.68
GSK3B P49841 2/20 0.68
KIT P10721 1/20 0.68
DOT1L Q8TEK3 2/20 0.66
JAK2 O60674 8/20 0.65
JAK1 P23458 4/20 0.61
HTR2C P28335 1/20 0.59

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
SCHEMBL2021330 1.00 JAK3 (1.00) JAK3LCKAKT2GSK3BKIT
SCHEMBL20862485 0.92 JAK3 (1.00) JAK3LCKAKT2GSK3BKIT
SCHEMBL3954391 0.92 JAK3 (1.00) JAK3LCKAKT2GSK3BKIT
SCHEMBL2019457 0.92 LCK (1.00) JAK3LCKAKT2GSK3BKIT
SCHEMBL3952874 0.86 JAK3 (0.75) JAK3LCKAKT2GSK3BKIT
SCHEMBL20862652 0.85 JAK3 (0.74) JAK3LCKAKT2GSK3BKIT
SCHEMBL15178732 0.84 DOT1L (0.85) JAK3LCKAKT2GSK3BKIT
SCHEMBL10074309 0.84 DOT1L (0.85) JAK3LCKAKT2GSK3BKIT
SCHEMBL15170325 0.84 DOT1L (0.86) JAK3LCKAKT2GSK3BKIT
SCHEMBL10074310 0.84 DOT1L (0.86) JAK3LCKAKT2GSK3BKIT

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-2012022265-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2012-02-23 WO disclosed