SCHEMBL5178365

SCHEMBL5178365

NC(=O)Oc1ccc2[nH]c(-c3ccc(Cc4cc5c(cc4Cl)OCO5)cc3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 15/20 0.67
▸ BRS3 P32247 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ SIRT3 Q9NTG7 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
SCHEMBL3574620 0.86 CHEK2 (0.86) CHEK2
SCHEMBL5177246 0.85 CHEK2 (0.69) CHEK2KDM4EMEN1POLBCYP3A4
SCHEMBL3568288 0.83 CHEK2 (0.72) CHEK2KDM4EMEN1POLBCYP3A4
SCHEMBL5176765 0.82 CHEK2 (0.61) CHEK2MEN1KMT2ASIRT2SIRT1
SCHEMBL5176577 0.82 CHEK2 (0.66) CHEK2KDM4EMEN1POLBMAPT
SCHEMBL5177595 0.82 CHEK2 (0.68) CHEK2
SCHEMBL5253625 0.81 CHEK2 (0.69) CHEK2KDM4EMEN1POLBCYP3A4
SCHEMBL5178035 0.79 CHEK2 (0.67) CHEK2KDM4EMEN1POLBCYP3A4
SCHEMBL5177752 0.79 CHEK2 (0.45) CHEK2MEN1KMT2A
SCHEMBL5176300 0.79 CHEK2 (0.64) CHEK2KDM4ERAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613313-B1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5]-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2007-06-06 — — EP claimed
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