SCHEMBL6621181

SCHEMBL6621181

Cc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3O)cc2C2CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ JAK2 O60674 3/20 0.39
▸ TYK2 P29597 3/20 0.39
▸ ALK Q9UM73 2/20 0.39
▸ ITGB1 P05556 3/20 0.38
▸ ITGA4 P13612 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALDH2 P05091 2/20 0.36
▸ CRACR2A Q9BSW2 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL6618981 0.93 JAK2 (0.40) JAK2TYK2ITGB1ITGA4JAK1
SCHEMBL6618467 0.92 RAB9A (0.39) JAK2TYK2ITGB1ITGA4MEN1
SCHEMBL6618339 0.92 ACKR3 (0.44) LMNAMAPTJAK2TYK2ITGB1
SCHEMBL6619381 0.91 HRH3 (0.43) JAK2TYK2ITGB1ITGA4JAK1
SCHEMBL6616478 0.90 ACKR3 (0.44) LMNAMAPTITGB1ITGA4MEN1
SCHEMBL6617385 0.90 LMNA (0.39) LMNAMAPTMEN1KMT2ADHODH
SCHEMBL6609028 0.88 TYK2 (0.43) JAK2TYK2ITGB1ITGA4JAK1
SCHEMBL6613507 0.88 MAPT (0.42) LMNAMAPTMEN1KMT2AUSP2
SCHEMBL6617364 0.88 CNR1 (0.42) MAPTJAK2TYK2JAK1CRACR2A
SCHEMBL6617159 0.88 JAK2 (0.38) JAK2TYK2MEN1KMT2AUSP2

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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