SCHEMBL6618955

SCHEMBL6618955

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.40
▸ TYK2 P29597 4/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ JAK1 P23458 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CRACR2A Q9BSW2 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTPRC P08575 1/20 0.37
▸ SLC16A3 O15427 2/20 0.37
▸ SLC16A1 P53985 2/20 0.37
▸ MCTS1 Q9ULC4 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL6617159 0.94 JAK2 (0.38) JAK2TYK2ACKR3JAK1NPC1
SCHEMBL6615258 0.94 CNR1 (0.41) JAK2TYK2SMN1; SMN2CNR1JAK1
SCHEMBL6618535 0.92 CNR1 (0.41) JAK2TYK2SMN1; SMN2CNR1JAK1
SCHEMBL6617644 0.92 ACKR3 (0.40) JAK2TYK2ACKR3LMNAMAPT
SCHEMBL6618981 0.92 JAK2 (0.40) JAK2TYK2ACKR3CNR1JAK1
SCHEMBL6617337 0.90 CNR1 (0.39) ACKR3LMNAMAPTSMN1; SMN2CNR1
SCHEMBL6606378 0.90 CNR1 (0.40) ACKR3LMNAMAPTSMN1; SMN2CNR1
SCHEMBL6673477 0.90 MEN1 (0.44) ACKR3LMNAMAPTSMN1; SMN2NPC1
SCHEMBL6609028 0.89 TYK2 (0.43) JAK2TYK2JAK1CRACR2ACDK9
SCHEMBL6616371 0.89 ACKR3 (0.43) ACKR3LMNAMAPTSMN1; SMN2CNR1

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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