SCHEMBL6621361

SCHEMBL6621361

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ F10 P00742 4/20 0.42
▸ NTRK1 P04629 1/20 0.40
▸ NTRK3 Q16288 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NAMPT P43490 2/20 0.38

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
SCHEMBL6603139 0.91 BRAF (0.40) MEN1KMT2APOLBCNR1NAMPT
SCHEMBL6618170 0.91 MEN1 (0.47) MEN1KMT2APOLBSMN1; SMN2
SCHEMBL6618768 0.91 MEN1 (0.46) MEN1KMT2APOLBSMN1; SMN2
SCHEMBL6617523 0.90 NPSR1 (0.44) MEN1KMT2AF2ELANESMN1; SMN2
SCHEMBL6617364 0.89 CNR1 (0.42) JAK2POLBCNR1SMN1; SMN2NAMPT
SCHEMBL6617462 0.87 CNR1 (0.39) MEN1KMT2APOLBCNR1SMN1; SMN2
SCHEMBL6618534 0.87 NPY2R (0.38) MEN1KMT2APOLBCNR1NAMPT
SCHEMBL6634119 0.87 CNR1 (0.42) JAK2POLBCNR1SMN1; SMN2NAMPT
SCHEMBL6615537 0.86 LMNA (0.45) JAK2KMT2APOLBNAMPT
SCHEMBL6618100 0.86 CNR1 (0.41) MEN1KMT2ACNR1SMN1; SMN2NAMPT

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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