SCHEMBL16931994

SCHEMBL16931994

CC12OC(CC1(O)C(=O)O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 8/20 1.00
▸ PRKD3 O94806 5/20 1.00
▸ PRKCA P17252 5/20 1.00
▸ PRKCH P24723 5/20 1.00
▸ PRKCI P41743 5/20 1.00
▸ PRKCE Q02156 5/20 1.00
▸ PRKCD Q05655 5/20 1.00
▸ PRKD1 Q15139 5/20 1.00
▸ PRKCG P05129 4/20 1.00
▸ PRKCB P05771 4/20 1.00
▸ PRKCZ Q05513 4/20 1.00
▸ NTRK1 P04629 7/20 0.90
▸ KDR P35968 7/20 0.90
▸ FLT3 P36888 5/20 0.84
▸ MYLK Q15746 4/20 0.84
▸ CDK4 P11802 3/20 0.84
▸ CDK2 P24941 3/20 0.84
▸ MAP3K11 Q16584 3/20 0.84
▸ CAMKK2 Q96RR4 3/20 0.84
▸ DAPK3 O43293 2/20 0.84

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
SCHEMBL14825402 1.00 PRKCQ (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL13168059 1.00 PRKCQ (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL29451226 1.00 PRKCQ (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL3747539 1.00 PRKCQ (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL29651606 1.00 PRKCQ (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL14207925 1.00 PRKCQ (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL13246716 0.94 PRKCQ (0.89) PRKCQPRKD3PRKCAPRKCHPRKCI
K-252A SCHEMBL24112155 0.92 NTRK1 (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
K-252A SCHEMBL968886 0.92 NTRK1 (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL21132411 0.92 NTRK1 (0.85) PRKCQPRKD3PRKCAPRKCHPRKCI

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
US-9539222-B2 Methods to inhibit intracellular growth of bacteria and to treat bacteria-mediated diseases AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-01-10 — — US claimed
US-20150209308-A1 METHODS TO INHIBIT INTRACELLULAR GROWTH OF BACTERIA AND TO TREAT BACTERIA-MEDIATED DISEASES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2015-07-30 — — US claimed
US-9539222-B2 Methods to inhibit intracellular growth of bacteria and to treat bacteria-mediated diseases AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-01-10 — — US disclosed
US-20150209308-A1 METHODS TO INHIBIT INTRACELLULAR GROWTH OF BACTERIA AND TO TREAT BACTERIA-MEDIATED DISEASES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2015-07-30 — — US disclosed
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