SCHEMBL6614768

SCHEMBL6614768

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NC3CC3)n2)c(O)c1)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ NR2E3 Q9Y5X4 1/20 0.42
▸ CASP3 P42574 2/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ CRACR2A Q9BSW2 1/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMO Q99835 1/20 0.39
▸ GRM4 Q14833 2/20 0.39
▸ PNLIP P16233 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL6619502 0.96 ACKR3 (0.42) PKMMAPTROCK2NR2E3CASP3
SCHEMBL6616658 0.88 MAPT (0.47) MAPTACKR3RAB9ASMN1; SMN2TDP1
SCHEMBL6606741 0.86 JAK2 (0.43) CDK2CCNA1CRACR2ARAB9ASMN1; SMN2
SCHEMBL6619685 0.86 JAK2 (0.43) CDK2CCNA1CRACR2AACKR3RAB9A
SCHEMBL6617490 0.86 PPARG (0.41) PKMMAPTROCK2CASP3CCNA2
SCHEMBL6618025 0.86 CHRM5 (0.42) PKMMAPTROCK2CASP3CCNA2
SCHEMBL6603129 0.86 TP53 (0.41) PKMMAPTROCK2NR2E3CASP3
SCHEMBL6618633 0.85 HSD11B1 (0.42) PKMMAPTROCK2NR2E3CASP3
SCHEMBL6618158 0.84 CRACR2A (0.42) CDK2CCNA1CRACR2ARAB9ANPC1
SCHEMBL6617735 0.84 PKM (0.42) PKMMAPTROCK2NR2E3CASP3

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 4 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
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 disclosed
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 disclosed
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