SCHEMBL21027486

SCHEMBL21027486

Nc1ncc(Cl)c(-c2cnc3ccccn23)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
IGF1R P08069 11/20 0.46
CDK2 P24941 7/20 0.46
FLT3 P36888 1/20 0.46
JUN P05412 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
KCNH2 Q12809 9/20 0.45
EPHB3 P54753 1/20 0.44
MAP3K14 Q99558 1/20 0.44
CDK7 P50613 3/20 0.43
CDK9 P50750 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
DYRK1A Q13627 1/20 0.43
CDK1 P06493 1/20 0.43
CDK8 P49336 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL3314551 0.85 FLT3 (0.48) PKMIGF1RCDK2FLT3JUN
SCHEMBL27474684 0.83 PKM (0.51) PKMIGF1RCDK2FLT3MAP3K14
SCHEMBL21027484 0.80 IGF1R (0.56) IGF1RCDK2JUNMAPK8MAPK9
SCHEMBL1613993 0.78 MAP3K14 (0.60) IGF1RCDK2FLT3EPHB3MAP3K14
SCHEMBL22252929 0.74 CDK2 (0.64) IGF1RCDK2FLT3JUNMAPK8
SCHEMBL22228839 0.74 CDK2 (0.64) IGF1RCDK2FLT3JUNMAPK8
SCHEMBL31500953 0.74 CDK2 (0.64) IGF1RCDK2FLT3JUNMAPK8
SCHEMBL4804170 0.74 DYRK1A (0.66) PKMIGF1RCDK2FLT3MAPK8
SCHEMBL20812676 0.72 IGF1R (0.68) IGF1RCDK2KCNH2
SCHEMBL3313332 0.71 FLT3 (0.46) PKMIGF1RCDK2FLT3KCNH2

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-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 EP disclosed