SCHEMBL6606741

SCHEMBL6606741

O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NC3CC3)n2)c(O)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.43
▸ TYK2 P29597 7/20 0.43
▸ JAK1 P23458 3/20 0.43
▸ CRACR2A Q9BSW2 4/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ NR1H4 Q96RI1 2/20 0.39
▸ PTPRC P08575 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TAS1R3 Q7RTX0 2/20 0.36
▸ TAS1R1 Q7RTX1 2/20 0.36
▸ TAS1R2 Q8TE23 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6619685 0.98 JAK2 (0.43) JAK2TYK2JAK1CRACR2ACDK9
SCHEMBL6618158 0.91 CRACR2A (0.42) JAK2TYK2JAK1CRACR2ACDK9
SCHEMBL6619502 0.90 ACKR3 (0.42) CRACR2ARAB9ASMN1; SMN2
SCHEMBL6605166 0.86 TYK2 (0.43) JAK2TYK2JAK1CRACR2ACDK9
SCHEMBL6614768 0.86 PKM (0.43) JAK2JAK1CRACR2ACDK2CCNA1
SCHEMBL6609028 0.86 TYK2 (0.43) JAK2TYK2JAK1CRACR2ACDK9
SCHEMBL6617027 0.85 CYP3A4 (0.41) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6603569 0.85 TYK2 (0.40) JAK2TYK2JAK1CRACR2ACDK9
SCHEMBL6620323 0.84 TYK2 (0.41) JAK2TYK2JAK1CRACR2ACDK9
SCHEMBL6618981 0.84 JAK2 (0.40) JAK2TYK2JAK1CRACR2ACDK9

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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