SCHEMBL3458402

SCHEMBL3458402

Nc1ccnc(Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.56
JAK3 P52333 1/20 0.56
CDK2 P24941 3/20 0.55
CDK1 P06493 2/20 0.55
MTOR P42345 1/20 0.55
SMG1 Q96Q15 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ATM Q13315 1/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ERBB2 P04626 2/20 0.51
CCNT1 O60563 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
CCNH P51946 1/20 0.51

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
SCHEMBL30023094 0.87 KMT2A (0.65) JAK2JAK3KMT2AMEN1ATM
SCHEMBL4377112 0.86 CDK1 (0.61) JAK2JAK3CDK2CDK1MTOR
SCHEMBL6622738 0.84 CDK2 (0.52) JAK2JAK3CDK2CDK1MTOR
SCHEMBL30565226 0.83 ROCK1 (0.64) JAK2JAK3KMT2AMEN1ATM
SCHEMBL3459265 0.83 JAK2 (0.52) JAK2JAK3CDK2CDK1MTOR
SCHEMBL12423192 0.82 CDK2 (0.53) JAK2JAK3CDK2CDK1MTOR
SCHEMBL4164569 0.81 CDK2 (0.63) JAK2JAK3CDK2CDK1MTOR
SCHEMBL25381155 0.79 JAK1 (0.59) JAK2JAK3CDK2CDK1POLB
SCHEMBL4463575 0.78 PLK4 (0.69) JAK2JAK3CDK2CDK1SMG1
SCHEMBL14650506 0.78 JAK2 (0.54) JAK2JAK3CDK2CDK1MTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154967-A1 PYRIMIDINE DERIVATIVES Hutchison Medipharma Enterprises Limited (BS) 2010-02-24 EP disclosed
WO-2008128231-A1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2008-10-23 WO disclosed