SCHEMBL6622049

SCHEMBL6622049

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3ccc(F)cc3)n2)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.39
▸ CRACR2A Q9BSW2 6/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH2 P05091 1/20 0.37
▸ SLC13A5 Q86YT5 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ ERCC1 P07992 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ KCNJ6 P48051 2/20 0.36
▸ KCNJ5 P48544 2/20 0.36
▸ KCNJ3 P48549 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ P2RX1 P51575 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
SCHEMBL6617954 0.93 EPHX2 (0.40) CRACR2AJAK2JAK1TYK2CDK9
SCHEMBL6618467 0.92 RAB9A (0.39) RAB9ACRACR2AMEN1KMT2AALDH2
SCHEMBL6620593 0.91 HRH3 (0.39) RAB9ACRACR2AALDH2JAK2JAK1
SCHEMBL6618429 0.90 ACKR3 (0.44) RAB9AMEN1KMT2ATYK2
SCHEMBL6619848 0.88 PPARG (0.42) RAB9AMEN1KMT2APPARGP2RX1
SCHEMBL6617644 0.88 ACKR3 (0.40) CRACR2AJAK2JAK1TYK2CDK9
SCHEMBL6618658 0.86 PPARG (0.44) RAB9AMEN1KMT2APPARGKCNJ6
SCHEMBL6619981 0.86 ALDH1A1 (0.39) RAB9AMEN1KMT2AERCC1ERCC4
SCHEMBL6617364 0.85 CNR1 (0.42) RAB9ACRACR2AJAK2JAK1TYK2
SCHEMBL6634119 0.85 CNR1 (0.42) RAB9ACRACR2AJAK2JAK1TYK2

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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