SCHEMBL6619685

SCHEMBL6619685

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NC3CC3)n2)c(O)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.43
▸ TYK2 P29597 7/20 0.43
▸ NR1H4 Q96RI1 2/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ CRACR2A Q9BSW2 2/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ACKR3 P25106 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ EPHX2 P34913 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
SCHEMBL6606741 0.98 JAK2 (0.43) JAK2TYK2NR1H4JAK1CRACR2A
SCHEMBL6618158 0.91 CRACR2A (0.42) JAK2TYK2NR1H4JAK1CRACR2A
SCHEMBL6605166 0.88 TYK2 (0.43) JAK2TYK2NR1H4JAK1CRACR2A
SCHEMBL6619502 0.88 ACKR3 (0.42) CRACR2AACKR3LMNARAB9A
SCHEMBL6609028 0.88 TYK2 (0.43) JAK2TYK2NR1H4JAK1CRACR2A
SCHEMBL6614768 0.86 PKM (0.43) JAK2JAK1CRACR2AMEN1KMT2A
SCHEMBL6620323 0.86 TYK2 (0.41) JAK2TYK2NR1H4JAK1CRACR2A
SCHEMBL6617161 0.85 ALDH1A1 (0.42) JAK2TYK2NR1H4JAK1CRACR2A
SCHEMBL6618981 0.85 JAK2 (0.40) JAK2TYK2JAK1CRACR2ACDK9
SCHEMBL6618955 0.85 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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