SCHEMBL6616412

SCHEMBL6616412

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1)c1cccnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ACKR3 P25106 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ AURKA O14965 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ5 P48544 1/20 0.36
▸ KCNJ3 P48549 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
SCHEMBL6614980 0.90 CNR1 (0.42) MAPTACKR3MEN1KMT2AAURKA
SCHEMBL6604438 0.89 MAPT (0.44) MAPTSMN1; SMN2ACKR3ALDH1A1MEN1
SCHEMBL6618100 0.89 CNR1 (0.41) MAPTSMN1; SMN2ACKR3MEN1KMT2A
SCHEMBL6605138 0.87 MAPT (0.42) MAPTSMN1; SMN2ACKR3ALDH1A1MEN1
SCHEMBL6618827 0.87 ACKR3 (0.40) MAPTSMN1; SMN2ACKR3ALDH1A1MEN1
SCHEMBL6618924 0.86 MAPT (0.47) MAPTSMN1; SMN2ACKR3ALDH1A1MEN1
SCHEMBL6634119 0.85 CNR1 (0.42) MAPTSMN1; SMN2CNR1RAB9ANAMPT
SCHEMBL6617364 0.84 CNR1 (0.42) MAPTSMN1; SMN2ACKR3CNR1RAB9A
SCHEMBL6618083 0.84 NAMPT (0.46) MAPTACKR3NAMPT
SCHEMBL6615212 0.84 MAPT (0.47) MAPTSMN1; SMN2ACKR3ALDH1A1MEN1

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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