SCHEMBL17849192

SCHEMBL17849192

N=C(c1csc(C(=O)N2CCOCC2)c1)c1c(Nc2c(F)cccc2F)c(Cl)c[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.37
PARP1 P09874 1/20 0.37
HTR2C P28335 2/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
RORC P51449 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK7 Q13164 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
PRKCZ Q05513 1/20 0.34

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
SCHEMBL16623544 0.84 MEN1 (0.32) KMT2A
SCHEMBL17849200 0.84 CYP2A13 (0.39) SMN1; SMN2MAPK7RAB9A
SCHEMBL18052610 0.83 MAPK10 (0.41) MAPK7
SCHEMBL16623587 0.80 ROCK1 (0.39) MAPTKDM4EJAK2JAK1TYK2
SCHEMBL16623468 0.79 MPO (0.31) POLBRAB9A
SCHEMBL17849202 0.78 SMN1; SMN2 (0.44) MAPTTSHRKDM4EKMT2AHPGD
SCHEMBL17849194 0.78 MAPK8 (0.34)
SCHEMBL16623586 0.78 DGAT2 (0.32)
SCHEMBL16623466 0.78 MAPK8 (0.32)
SCHEMBL17849189 0.77 RAB9A (0.45) KDM4EHPGDSMN1; SMN2RAB9A

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
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