SCHEMBL6619502

SCHEMBL6619502

O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NC3CC3)n2)c(O)c1)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR2E3 Q9Y5X4 3/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CASP3 P42574 2/20 0.40
▸ HSD11B1 P28845 1/20 0.38
▸ SMO Q99835 1/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ CRACR2A Q9BSW2 1/20 0.38

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
SCHEMBL6614768 0.96 PKM (0.43) ACKR3MAPTRAB9APKMLMNA
SCHEMBL6606741 0.90 JAK2 (0.43) RAB9ASMN1; SMN2CRACR2A
SCHEMBL6618633 0.89 HSD11B1 (0.42) MAPTRAB9APKMLMNAMAPK1
SCHEMBL6619685 0.88 JAK2 (0.43) ACKR3RAB9ALMNACRACR2A
SCHEMBL6617735 0.88 PKM (0.42) MAPTRAB9APKMLMNAMAPK1
SCHEMBL6616658 0.87 MAPT (0.47) ACKR3MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL6615953 0.86 CHRM5 (0.41) MAPTRAB9APKMLMNAMAPK1
SCHEMBL6617337 0.86 CNR1 (0.39) ACKR3MAPTRAB9APKMLMNA
SCHEMBL6603314 0.86 PPARG (0.40) ACKR3MAPTRAB9APKMLMNA
SCHEMBL6617216 0.85 HPGD (0.43) MAPTRAB9APKMLMNAMAPK1

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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