SCHEMBL6618981

SCHEMBL6618981

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.40
▸ TYK2 P29597 5/20 0.40
▸ ACKR3 P25106 4/20 0.40
▸ JAK1 P23458 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CRACR2A Q9BSW2 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTPRC P08575 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ KCNJ6 P48051 2/20 0.37
▸ KCNJ5 P48544 2/20 0.37
▸ KCNJ3 P48549 2/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 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
SCHEMBL6618467 0.93 RAB9A (0.39) JAK2TYK2JAK1CNR1CRACR2A
SCHEMBL6621181 0.93 LMNA (0.40) JAK2TYK2JAK1CRACR2AITGB1
SCHEMBL6617364 0.92 CNR1 (0.42) JAK2TYK2ACKR3JAK1CNR1
SCHEMBL6631319 0.92 JAK2 (0.39) JAK2TYK2JAK1CNR1CRACR2A
SCHEMBL6619381 0.92 HRH3 (0.43) JAK2TYK2JAK1CNR1CRACR2A
SCHEMBL6618955 0.92 JAK2 (0.40) JAK2TYK2ACKR3JAK1CNR1
SCHEMBL6618339 0.91 ACKR3 (0.44) JAK2TYK2ACKR3CNR1ITGB1
SCHEMBL6634119 0.90 CNR1 (0.42) JAK2TYK2JAK1CNR1CRACR2A
SCHEMBL6603314 0.90 PPARG (0.40) ACKR3CNR1
SCHEMBL6616478 0.89 ACKR3 (0.44) ACKR3CNR1ITGB1ITGA4

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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