SCHEMBL28492006

SCHEMBL28492006

O=C(NC1[CH]C1)c1cccc2ccn(Cc3ccc(-c4cn[nH]c4)cn3)c12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1L O00429 3/20 0.35
PDPK1 O15530 1/20 0.34
ROCK2 O75116 8/20 0.33
PTGER4 P35408 3/20 0.33
PTGDR Q13258 3/20 0.33
TBXA2R P21731 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
JAK1 P23458 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
GRK2 P25098 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
ROCK1 Q13464 3/20 0.32
CD38 P28907 1/20 0.31

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
SCHEMBL28494628 0.88 PTGER4 (0.37) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL28480177 0.86 KCNH2 (0.36) DNM1LPTGER4PTGDRTBXA2RPTGER1
SCHEMBL28485215 0.84 MERTK (0.38) WNT1GSK3BDYRK1A
SCHEMBL28493538 0.82 CBLB (0.34) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL28487314 0.81 PTGER4 (0.35) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL28484338 0.80 PIK3CA (0.34) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL22276147 0.80 TBXA2R (0.36) DNM1LPDPK1ROCK2PTGER4PTGDR
SCHEMBL22276230 0.79 TBXA2R (0.36) DNM1LPDPK1ROCK2PTGER4PTGDR
SCHEMBL28491854 0.77 FLT1 (0.42)
SCHEMBL28487481 0.77 HDAC11 (0.42) PTGER4PTGDRTBXA2RPTGER1PTGFR

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
CN-111989311-B Compound for inhibiting PGE2/EP4 signal transduction, preparation method thereof and application thereof in medicines 凯复(苏州)生物医药有限公司 2022-03-22 CN disclosed
CN-111989311-A Compound for inhibiting PGE2/EP4 signal transduction, preparation method thereof and application thereof in medicines 凯复(苏州)生物医药有限公司 2020-11-24 CN disclosed