SCHEMBL23221981

SCHEMBL23221981

COc1cncc(-c2c[nH]c3ncnc(N)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.48
LRRK2 Q5S007 9/20 0.48
CLK1 P49759 5/20 0.46
DYRK1A Q13627 5/20 0.46
STK4 Q13043 1/20 0.45
STK3 Q13188 1/20 0.45
PIM1 P11309 2/20 0.44
PIM3 Q86V86 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
NTRK1 P04629 1/20 0.41
RET P07949 1/20 0.41
FLT3 P36888 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
SCHEMBL7013879 0.82 LRRK2 (0.65) LRRK2STK4STK3NTRK1
SCHEMBL4350812 0.81 KDR (0.57) JAK3LRRK2DYRK1ASTK3PIM1
SCHEMBL16783676 0.76 BACE1 (0.40) LRRK2DYRK1ANTRK1
SCHEMBL30046544 0.76 KDM4E (0.49) PIM1PIM3PIM2
SCHEMBL20162994 0.73 LRRK2 (0.40) JAK3LRRK2DYRK1ASTK4STK3
SCHEMBL22037742 0.73 LRRK2 (0.45) JAK3LRRK2STK4STK3RET
SCHEMBL28057753 0.72 LRRK2 (0.62) JAK3LRRK2DYRK1ASTK3NTRK1
SCHEMBL14163023 0.71 CHEK1 (0.62) LRRK2STK4STK3
SCHEMBL28057752 0.71 RET (0.48) JAK3LRRK2DYRK1ASTK4STK3
SCHEMBL30538088 0.70 LRRK2 (0.47) JAK3LRRK2RETFLT3

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-3318565-B1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER (US) 2021-04-14 EP disclosed