SCHEMBL16623571

SCHEMBL16623571

N=C(Nc1cccc(S)c1)c1c(NC2CCCC2)cc[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.34
JAK2 O60674 5/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
EPHX1 P07099 2/20 0.33
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
EGFR P00533 1/20 0.32
TTK P33981 1/20 0.32
MAPK8 P45983 1/20 0.32

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
SCHEMBL16623602 0.86 JAK1 (0.37) JAK1JAK2KMT2ANPC1RAB9A
SCHEMBL17849240 0.86 JAK1 (0.43) JAK1JAK2KMT2AMAPTRAB9A
SCHEMBL20246136 0.83 SMN1; SMN2 (0.40) JAK1JAK2SMN1; SMN2
SCHEMBL20246160 0.81 JAK2 (0.42) JAK1JAK2SMN1; SMN2EGFR
SCHEMBL20246354 0.80 LMNA (0.35) JAK1JAK2KMT2AMAPTNPC1
SCHEMBL16623579 0.80 F2R (0.32) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL17849224 0.80 EGFR (0.33) JAK1JAK2EGFR
SCHEMBL20246414 0.79 JAK2 (0.41) JAK1JAK2
SCHEMBL20246042 0.79 RAB9A (0.46) JAK1JAK2KMT2ANPC1RAB9A
SCHEMBL20246553 0.78 JAK1 (0.37) JAK1JAK2KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed