SCHEMBL6617644

SCHEMBL6617644

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3ccccc3Cl)n2)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CRACR2A Q9BSW2 4/20 0.40
▸ TP53 P04637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ JAK2 O60674 4/20 0.38
▸ TYK2 P29597 4/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ANO1 Q5XXA6 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35

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
SCHEMBL6618955 0.92 JAK2 (0.40) ACKR3LMNASMN1; SMN2MAPTCRACR2A
SCHEMBL6618271 0.90 MAPT (0.41) ACKR3SMN1; SMN2MAPTTP53GAA
SCHEMBL6620593 0.89 HRH3 (0.39) ACKR3MAPTCRACR2AJAK2TYK2
SCHEMBL6617068 0.89 PKM (0.38) ACKR3LMNASMN1; SMN2MAPTTP53
SCHEMBL6614679 0.88 MAPT (0.42) ACKR3LMNASMN1; SMN2MAPTTP53
SCHEMBL6622049 0.88 RAB9A (0.39) CRACR2AJAK2TYK2JAK1CDK9
SCHEMBL6615008 0.87 SMN1; SMN2 (0.47) ACKR3LMNASMN1; SMN2MAPTCRACR2A
SCHEMBL6617954 0.87 EPHX2 (0.40) CRACR2AJAK2TYK2JAK1CDK9
SCHEMBL6618072 0.87 MEN1 (0.43) ACKR3LMNASMN1; SMN2MAPTGAA
SCHEMBL6615311 0.87 CHRM5 (0.42) ACKR3MAPTTP53USP2THRB

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-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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